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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1945
- Core Entity Id
- 5351
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxy-1-phenylethanone
- Name En
- Pubchem Id
- 68490
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)CO
- Molecular Formula
- C8H8O2
- Molecular Weight
- 136.1500
- Inchikey
- ZWVHTXAYIKBMEE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
- Isomeric Smiles
- C1=CC=C(C=C1)C(=O)CO
- Cas Id
- 582-24-1
- Ob Score
- 22.5280
- Mol Logp
- 0.8616
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Hydroxy-1-Phenylethanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-hydroxy-1-phenylethanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxy-1-phenylethanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-hydroxy-1-phenylethanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Hydroxy-1-phenylethan-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-1-phenylethan-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxyacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxyacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
582-24-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
582-24-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoylcarbinol
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoylcarbinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanone, 2-hydroxy-1-phenyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanone, 2-hydroxy-1-phenyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Glycolophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
Glycolophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methanol, benzoyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Methanol, benzoyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenacyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenacyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Hydroxyacetophenone
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Hydroxyacetophenone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hydroxyacetophenone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
hydroxyacetophenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4-Hydroxyphenyl)-1-propanone
Role
alias
Source
TCMBank
Preferred
No
Name
(4-Hydroxyphenyl)ethan-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
(4-hydroxyphenyl)ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
(Hydroxyacetyl)benzene
Role
alias
Source
TCMBank
Preferred
No
Name
.alpha.-Hydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
1-(2-HYDROXY-5-METHYLPHENYL)-1-ETHANONE
Role
alias
Source
TCMBank
Preferred
No
Name
1-(4-Hydroxyphenyl)Ethan-1-One
Role
alias
Source
TCMBank
Preferred
No
Name
1-(4-Hydroxyphenyl)ethanone (4-Hydroxyacetophenone)
Role
alias
Source
TCMBank
Preferred
No
Name
1-(4-hydroxyphenyl)-1-ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-(4-hydroxyphenyl)-ethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-Phenyl-2-hydroxyethanone
Role
alias
Source
TCMBank
Preferred
No
Name
1-acetyl-4-hydroxybenzene
Role
alias
Source
TCMBank
Preferred
No
Name
2,5-Cyclohexadien-1-one, 4-(1-hydroxyethylidene)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxy-1-phenylethanone #
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxyacetophenone, 98%
Role
alias
Source
TCMBank
Preferred
No
Name
2-Phenyl-2-oxoethanol
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxy-acetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxyacetophenon
Role
alias
Source
TCMBank
Preferred
No
Name
21445-EP2281817A1
Role
alias
Source
TCMBank
Preferred
No
Name
21445-EP2311806A2
Role
alias
Source
TCMBank
Preferred
No
Name
21445-EP2314295A1
Role
alias
Source
TCMBank
Preferred
No
Name
261172-42-3
Role
alias
Source
TCMBank
Preferred
No
Name
278564_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2o48
Role
alias
Source
TCMBank
Preferred
No
Name
4'-Hydroxyacetophenone (Acetaminophen Impurity E), Pharmaceutical Secondary Standards
Role
alias
Source
TCMBank
Preferred
No
Name
4'-Hydroxyacetophenone, 99%
Role
alias
Source
TCMBank
Preferred
No
Name
4'-Hydroxyacetophenone, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
4'-hyroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
4-(1-HYDROXYETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
4-(1-Hydroxyethylidene)-2,5-cyclohexadiene-1-one
Role
alias
Source
TCMBank
Preferred
No
Name
4-Acetophenol
Role
alias
Source
TCMBank
Preferred
No
Name
4-Acetylphenol
Role
alias
Source
TCMBank
Preferred
No
Name
4-HAP
Role
alias
Source
TCMBank
Preferred
No
Name
4-HYDROXYLACETOPHENONE
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroksyacetofenol
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroksyacetofenol [Polish]
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxyphenyl Methyl Ketone
Role
alias
Source
TCMBank
Preferred
No
Name
4CN-1638
Role
alias
Source
TCMBank
Preferred
No
Name
70H702
Role
alias
Source
TCMBank
Preferred
No
Name
99-93-4
Role
alias
Source
TCMBank
Preferred
No
Name
AB-131/40179700
Role
alias
Source
TCMBank
Preferred
No
Name
AB0007869
Role
alias
Source
TCMBank
Preferred
No
Name
AB00443569-03
Role
alias
Source
TCMBank
Preferred
No
Name
AB1003110
Role
alias
Source
TCMBank
Preferred
No
Name
AC-13228
Role
alias
Source
TCMBank
Preferred
No
Name
AC-6123
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1OTY
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L29UA
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q1JTE
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q5EBI
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q5F6S
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q7BHE
Role
alias
Source
TCMBank
Preferred
No
Name
AC6
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-209m35
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-209sej
Role
alias
Source
TCMBank
Preferred
No
Name
ACT01160
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-12133
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-15121
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-19290
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-55832
Role
alias
Source
TCMBank
Preferred
No
Name
AK-86441
Role
alias
Source
TCMBank
Preferred
No
Name
AK-94786
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS BBS-00003226
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS BBS-00009026
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000118915
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS009157007
Role
alias
Source
TCMBank
Preferred
No
Name
AM804082
Role
alias
Source
TCMBank
Preferred
No
Name
AN-10345
Role
alias
Source
TCMBank
Preferred
No
Name
AN-46075
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-32895
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-41081
Role
alias
Source
TCMBank
Preferred
No
Name
AS01158
Role
alias
Source
TCMBank
Preferred
No
Name
ASISCHEM D38759
Role
alias
Source
TCMBank
Preferred
No
Name
AURORA 16683
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, .alpha.-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 2-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 2-hydroxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 4'-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 4'-hydroxy- (6CI,8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, 4'-hydroxy- (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
Acetophenone, p-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
BBL011610
Role
alias
Source
TCMBank
Preferred
No
Name
BB_SC-6720
Role
alias
Source
TCMBank
Preferred
No
Name
BC675526
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50177409
Role
alias
Source
TCMBank
Preferred
No
Name
BG00600259
Role
alias
Source
TCMBank
Preferred
No
Name
BIDD:ER0242
Role
alias
Source
TCMBank
Preferred
No
Name
C07189
Role
alias
Source
TCMBank
Preferred
No
Name
C10700
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-99-93-4
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28032
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28341
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL201083
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-12925
Role
alias
Source
TCMBank
Preferred
No
Name
CS-D1120
Role
alias
Source
TCMBank
Preferred
No
Name
CS-W002198
Role
alias
Source
TCMBank
Preferred
No
Name
CTK1G9688
Role
alias
Source
TCMBank
Preferred
No
Name
CTK3I6630
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8H8820
Role
alias
Source
TCMBank
Preferred
No
Name
Certified Reference Material
Role
alias
Source
TCMBank
Preferred
No
Name
DB-021198
Role
alias
Source
TCMBank
Preferred
No
Name
DQ1N9R01IA
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_CID_9133
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_29133
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_RID_78678
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID0029133
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID7060388
Role
alias
Source
TCMBank
Preferred
No
Name
EC 202-802-8
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-802-8
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 209-480-8
Role
alias
Source
TCMBank
Preferred
No
Name
EN300-62495
Role
alias
Source
TCMBank
Preferred
No
Name
Ethanone, 1-(4-hydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
F0001-2341
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0612517
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0618684
Role
alias
Source
TCMBank
Preferred
No
Name
G1L3HT4CMH
Role
alias
Source
TCMBank
Preferred
No
Name
H6236
Role
alias
Source
TCMBank
Preferred
No
Name
HXT
Role
alias
Source
TCMBank
Preferred
No
Name
HYDROXYACETOPHENONE, P-
Role
alias
Source
TCMBank
Preferred
No
Name
HYDROXYACETOPHENONE, PARA
Role
alias
Source
TCMBank
Preferred
No
Name
HYDROXYACETOPHENONE-4
Role
alias
Source
TCMBank
Preferred
No
Name
Hydroxymethyl phenyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
I01-0447
Role
alias
Source
TCMBank
Preferred
No
Name
I14-48967
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H
Role
alias
Source
TCMBank
Preferred
No
Name
KB-173018
Role
alias
Source
TCMBank
Preferred
No
Name
KB-88470
Role
alias
Source
TCMBank
Preferred
No
Name
KS-000001GC
Role
alias
Source
TCMBank
Preferred
No
Name
KSC269M8R
Role
alias
Source
TCMBank
Preferred
No
Name
KSC486M3B
Role
alias
Source
TCMBank
Preferred
No
Name
LABOTEST-BB LT03331896
Role
alias
Source
TCMBank
Preferred
No
Name
LABOTEST-BB LTBB002651
Role
alias
Source
TCMBank
Preferred
No
Name
LS-13551
Role
alias
Source
TCMBank
Preferred
No
Name
LS10359
Role
alias
Source
TCMBank
Preferred
No
Name
LS10613
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-6065587915
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-8152973932
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00002359
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00041829
Role
alias
Source
TCMBank
Preferred
No
Name
Methyl p-hydroxyphenyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-000-871-223
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-792-352
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00248570-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00257375-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00257782-01
Role
alias
Source
TCMBank
Preferred
No
Name
NE10181
Role
alias
Source
TCMBank
Preferred
No
Name
NE10975
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 171232
Role
alias
Source
TCMBank
Preferred
No
Name
NSC-3698
Role
alias
Source
TCMBank
Preferred
No
Name
OTAVA-BB 1778865
Role
alias
Source
TCMBank
Preferred
No
Name
OTAVA-BB 7013941401
Role
alias
Source
TCMBank
Preferred
No
Name
P-ACETOPHENOL
Role
alias
Source
TCMBank
Preferred
No
Name
PARAGOS 440062
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol, p-acetyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Piceol
Role
alias
Source
TCMBank
Preferred
No
Name
PubChem13990
Role
alias
Source
TCMBank
Preferred
No
Name
PubChem23011
Role
alias
Source
TCMBank
Preferred
No
Name
PubChem3311
Role
alias
Source
TCMBank
Preferred
No
Name
RP20254
Role
alias
Source
TCMBank
Preferred
No
Name
RT-004153
Role
alias
Source
TCMBank
Preferred
No
Name
RTR-030502
Role
alias
Source
TCMBank
Preferred
No
Name
SBB040251
Role
alias
Source
TCMBank
Preferred
No
Name
SBB085926
Role
alias
Source
TCMBank
Preferred
No
Name
SC-07567
Role
alias
Source
TCMBank
Preferred
No
Name
SC-75012
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL40866
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL44898
Role
alias
Source
TCMBank
Preferred
No
Name
ST2403210
Role
alias
Source
TCMBank
Preferred
No
Name
ST2416948
Role
alias
Source
TCMBank
Preferred
No
Name
ST50213412
Role
alias
Source
TCMBank
Preferred
No
Name
ST51038371
Role
alias
Source
TCMBank
Preferred
No
Name
STK397448
Role
alias
Source
TCMBank
Preferred
No
Name
STR01114
Role
alias
Source
TCMBank
Preferred
No
Name
TIMTEC-BB SBB005399
Role
alias
Source
TCMBank
Preferred
No
Name
TIMTEC-BB SBB040251
Role
alias
Source
TCMBank
Preferred
No
Name
TL8006112
Role
alias
Source
TCMBank
Preferred
No
Name
TRA0095357
Role
alias
Source
TCMBank
Preferred
No
Name
TXFPEBPIARQUIG-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_200228
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_303602
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-DQ1N9R01IA
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-G1L3HT4CMH
Role
alias
Source
TCMBank
Preferred
No
Name
USAF KF-15
Role
alias
Source
TCMBank
Preferred
No
Name
W-100007
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QR DV1
Role
alias
Source
TCMBank
Preferred
No
Name
Y6738
Role
alias
Source
TCMBank
Preferred
No
Name
Z1272730906
Role
alias
Source
TCMBank
Preferred
No
Name
Z57040434
Role
alias
Source
TCMBank
Preferred
No
Name
ZB010486
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00330136
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC330136
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC6116374
Role
alias
Source
TCMBank
Preferred
No
Name
ZWVHTXAYIKBMEE-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
a-hydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
benzoylmethanol
Role
alias
Source
TCMBank
Preferred
No
Name
bmse000593
Role
alias
Source
TCMBank
Preferred
No
Name
bmse000670
Role
alias
Source
TCMBank
Preferred
No
Name
bmse010030
Role
alias
Source
TCMBank
Preferred
No
Name
c0694
Role
alias
Source
TCMBank
Preferred
No
Name
hydroxy-acetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
omega-Hydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
p-Acetylphenol
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
p-Hydroxyphenyl methyl ketone
Role
alias
Source
TCMBank
Preferred
No
Name
p-Oxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
p-hydroxy acetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
para-Hydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Name
rho-hydroxyacetophenone
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Hydroxy-1-phenylethan-1-one2-Hydroxyacetophenone582-24-1BenzoylcarbinolEthanone, 2-hydroxy-1-phenyl-GlycolophenoneMethanol, benzoyl-Phenacyl alcoholalpha-HydroxyacetophenoneHydroxyacetophenone(4-Hydroxyphenyl)-1-propanone(4-Hydroxyphenyl)ethan-1-one(4-hydroxyphenyl)ethanone(Hydroxyacetyl)benzene.alpha.-Hydroxyacetophenone1-(2-HYDROXY-5-METHYLPHENYL)-1-ETHANONE1-(4-Hydroxyphenyl)Ethan-1-One1-(4-Hydroxyphenyl)ethanone (4-Hydroxyacetophenone)1-(4-hydroxyphenyl)-1-ethanone1-(4-hydroxyphenyl)-ethanone1-Phenyl-2-hydroxyethanone1-acetyl-4-hydroxybenzene2,5-Cyclohexadien-1-one, 4-(1-hydroxyethylidene)- (9CI)2-Hydroxy-1-phenylethanone #2-Hydroxyacetophenone, 98%2-Phenyl-2-oxoethanol2-hydroxy-acetophenone2-hydroxyacetophenon21445-EP2281817A121445-EP2311806A221445-EP2314295A1261172-42-3278564_ALDRICH2o484'-Hydroxyacetophenone (Acetaminophen Impurity E), Pharmaceutical Secondary Standards4'-Hydroxyacetophenone, 99%4'-Hydroxyacetophenone, analytical standard4'-hyroxyacetophenone4-(1-HYDROXYETHYLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE4-(1-Hydroxyethylidene)-2,5-cyclohexadiene-1-one4-Acetophenol4-Acetylphenol4-HAP4-HYDROXYLACETOPHENONE4-Hydroksyacetofenol4-Hydroksyacetofenol [Polish]4-Hydroxyacetophenone4-Hydroxyphenyl Methyl Ketone4CN-163870H70299-93-4AB-131/40179700AB0007869AB00443569-03AB1003110AC-13228AC-6123AC1L1OTYAC1L29UAAC1Q1JTEAC1Q5EBIAC1Q5F6SAC1Q7BHEAC6ACMC-209m35ACMC-209sejACT01160AI3-12133AI3-15121AJ-19290AJ-55832AK-86441AK-94786AKOS BBS-00003226AKOS BBS-00009026AKOS000118915AKOS009157007AM804082AN-10345AN-46075ANW-32895ANW-41081AS01158ASISCHEM D38759AURORA 16683Acetophenone, .alpha.-hydroxy-Acetophenone, 2-hydroxy-Acetophenone, 2-hydroxy- (8CI)Acetophenone, 4'-hydroxy-Acetophenone, 4'-hydroxy- (6CI,8CI)Acetophenone, 4'-hydroxy- (8CI)Acetophenone, p-hydroxy-BBL011610BB_SC-6720BC675526BDBM50177409BG00600259BIDD:ER0242C07189C10700CAS-99-93-4CHEBI:28032CHEBI:28341CHEMBL201083CJ-12925CS-D1120CS-W002198CTK1G9688CTK3I6630CTK8H8820Certified Reference MaterialDB-021198DQ1N9R01IADSSTox_CID_9133DSSTox_GSID_29133DSSTox_RID_78678DTXSID0029133DTXSID7060388EC 202-802-8EINECS 202-802-8EINECS 209-480-8EN300-62495Ethanone, 1-(4-hydroxyphenyl)-F0001-2341FT-0612517FT-0618684G1L3HT4CMHH6236HXTHYDROXYACETOPHENONE, P-HYDROXYACETOPHENONE, PARAHYDROXYACETOPHENONE-4Hydroxymethyl phenyl ketoneI01-0447I14-48967InChI=1/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1HInChI=1/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6HKB-173018KB-88470KS-000001GCKSC269M8RKSC486M3BLABOTEST-BB LT03331896LABOTEST-BB LTBB002651LS-13551LS10359LS10613MCULE-6065587915MCULE-8152973932MFCD00002359MFCD00041829Methyl p-hydroxyphenyl ketoneMolPort-000-871-223MolPort-001-792-352NCGC00248570-01NCGC00257375-01NCGC00257782-01NE10181NE10975NSC 171232NSC-3698OTAVA-BB 1778865OTAVA-BB 7013941401P-ACETOPHENOLPARAGOS 440062Phenol, p-acetyl-PiceolPubChem13990PubChem23011PubChem3311RP20254RT-004153RTR-030502SBB040251SBB085926SC-07567SC-75012SCHEMBL40866SCHEMBL44898ST2403210ST2416948ST50213412ST51038371STK397448STR01114TIMTEC-BB SBB005399TIMTEC-BB SBB040251TL8006112TRA0095357TXFPEBPIARQUIG-UHFFFAOYSA-NTox21_200228Tox21_303602UNII-DQ1N9R01IAUNII-G1L3HT4CMHUSAF KF-15W-100007WLN: QR DV1Y6738Z1272730906Z57040434ZB010486ZINC00330136ZINC330136ZINC6116374ZWVHTXAYIKBMEE-UHFFFAOYSA-Na-hydroxyacetophenonebenzoylmethanolbmse000593bmse000670bmse010030c0694hydroxy-acetophenoneomega-Hydroxyacetophenonep-Acetylphenolp-Hydroxacetophenonep-Hydroxyphenyl methyl ketonep-Oxyacetophenonep-hydroxy acetophenonepara-Hydroxyacetophenonerho-hydroxyacetophenone
Cross References
Trusted external identifiers retained for this final record.
Cas
582-24-1
Herb
HBIN005722HBIN029692
Npass
NPC129588
Tcmid
245389748
Tcmsp
MOL010701
Sym Map
SMIT02175SMIT02688SMIT11707
Tcm Id
3651
Pub Chem
68490
Tcmbank
TCMBANKIN058290
Etcm Ingredient
2-hydroxy-1-phenylethanone
Itcmdb Generated
ITX-INGREDIENT-0AB31A13949C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
Mol Wt
136.15
Cas Id
582-24-1
Smiles
C1=CC=C(C=C1)C(=O)CO
Mol Log P
0.8615999999999999
Version
v1,v2
In Ch Ikey
ZWVHTXAYIKBMEE-UHFFFAOYSA-N
Ob Score
22.52822.52838192
Suppress
0
Num Hdonors
1
Drug Likeness
0.612
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C(=O)CO
Molecule Weight
136.16
Canonical Smiles
C1=CC=C(C=C1)C(=O)CO
Herb Alias Names
2-Hydroxyacetophenone582-24-1Phenacyl alcoholBenzoylcarbinolGlycolophenoneEthanone, 2-hydroxy-1-phenyl-alpha-Hydroxyacetophenone2-Hydroxy-1-phenylethan-1-oneMethanol, benzoyl-
Molecular Weight
136.050
Molecular Weight
136.15 g/mol
Molecule Formula
C8H8O2
Molecular Formula
C8H8O2
Molecular Formula
C8H8O2
Molecular Formula
C8H8O2
Num Rotatable Bonds
2
Link Ingredient Id
2175.0
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.612