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Herb: 4Ingredient: 1Target: 11Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 783
- Core Entity Id
- 4064
- Source Entity Count
- 1
- Preferred Name
- 2,4-dimethylphenol
- Name En
- Pubchem Id
- 7771
- Smiles Canonical
- CC1=CC(=C(C=C1)O)C
- Molecular Formula
- C8H10O
- Molecular Weight
- 122.1670
- Inchikey
- KUFFULVDNCHOFZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
- Isomeric Smiles
- CC1=CC(=C(C=C1)O)C
- Cas Id
- 105-67-9
- Ob Score
- Mol Logp
- 2.0090
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5580
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-Dimethylphenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,4-Dimethylphenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,4-dimethylphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4-dimethylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,4-dimethylphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-dimethylphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3-Dimethyl-4-hydroxybenzene
Role
alias
Source
SymMap_v2
Preferred
No
Name
1,3-Dimethyl-4-hydroxybenzene
Role
alias
Source
TCMBank
Preferred
No
Name
1-Hydroxy-2,4-dimethylbenzene
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hydroxy-2,4-dimethylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-2,4-dimethylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hydroxy-2,4-dimethylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
105-67-9
Role
alias
Source
HERB_v2
Preferred
No
Name
105-67-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
105-67-9
Role
alias
Source
TCMBank
Preferred
No
Name
105-67-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-DIMETHYLPHENOL
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-DMP
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-DMP
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-Dimethylphenol 100 microg/mL in Methanol
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Dimethylphenol 100 microg/mL in Methanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-Dimethylphenol, 98%
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-Dimethylphenol, 98%
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Dimethylphenol, 98% 100g
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-Dimethylphenol, 98% 100g
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Dimethylphenol, PESTANAL(R), analytical standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-Dimethylphenol, PESTANAL(R), analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Dimethylphenol, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Dimethylphenol, analytical standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-Xylenol
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Xylenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Xylenol
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4-Xylenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Xylenol, >=98%
Role
alias
Source
TCMBank
Preferred
No
Name
2,4-Xylenol, >=98%
Role
alias
Source
SymMap_v2
Preferred
No
Name
2,4dimethylphenol
Role
alias
Source
TCMBank
Preferred
No
Name
4,6-Dimethylphenol
Role
alias
Source
SymMap_v2
Preferred
No
Name
4,6-Dimethylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4,6-Dimethylphenol
Role
alias
Source
TCMBank
Preferred
No
Name
4,6-Dimethylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-06-00-03126 (Beilstein Handbook Reference)
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-06-00-03126 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxy-1,3-dimethylbenzene
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-Hydroxy-1,3-dimethylbenzene
Role
alias
Source
TCMBank
Preferred
No
Name
5OD803C081
Role
alias
Source
SymMap_v2
Preferred
No
Name
5OD803C081
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1PIF
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1PIF
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q2QT6
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q2QT6
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-1BSNQ
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-1BSNQ
Role
alias
Source
TCMBank
Preferred
No
Name
ACT00460
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACT00460
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-17612
Role
alias
Source
SymMap_v2
Preferred
No
Name
AI3-17612
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-29277
Role
alias
Source
SymMap_v2
Preferred
No
Name
AJ-29277
Role
alias
Source
TCMBank
Preferred
No
Name
AK-86373
Role
alias
Source
SymMap_v2
Preferred
No
Name
AK-86373
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000121556
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS000121556
Role
alias
Source
TCMBank
Preferred
No
Name
AM62796
Role
alias
Source
SymMap_v2
Preferred
No
Name
AM62796
Role
alias
Source
TCMBank
Preferred
No
Name
AN-22386
Role
alias
Source
SymMap_v2
Preferred
No
Name
AN-22386
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-15264
Role
alias
Source
SymMap_v2
Preferred
No
Name
ANW-15264
Role
alias
Source
TCMBank
Preferred
No
Name
BBL011443
Role
alias
Source
SymMap_v2
Preferred
No
Name
BBL011443
Role
alias
Source
TCMBank
Preferred
No
Name
BB_SC-6950
Role
alias
Source
SymMap_v2
Preferred
No
Name
BB_SC-6950
Role
alias
Source
TCMBank
Preferred
No
Name
BG00600048
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG00600048
Role
alias
Source
TCMBank
Preferred
No
Name
BG01496753
Role
alias
Source
SymMap_v2
Preferred
No
Name
BG01496753
Role
alias
Source
TCMBank
Preferred
No
Name
BIDD:ER0275
Role
alias
Source
SymMap_v2
Preferred
No
Name
BIDD:ER0275
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0636244
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRN 0636244
Role
alias
Source
TCMBank
Preferred
No
Name
Benzene, 2,4-dimethyl-1-hydroxy-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Benzene, 2,4-dimethyl-1-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Bulk Lysol Brand Disinfectant
Role
alias
Source
SymMap_v2
Preferred
No
Name
Bulk Lysol Brand Disinfectant
Role
alias
Source
TCMBank
Preferred
No
Name
C14582
Role
alias
Source
SymMap_v2
Preferred
No
Name
C14582
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-105-67-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
CAS-105-67-9
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 721
Role
alias
Source
SymMap_v2
Preferred
No
Name
CCRIS 721
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:34241
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:34241
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL29878
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL29878
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-06145
Role
alias
Source
SymMap_v2
Preferred
No
Name
CJ-06145
Role
alias
Source
TCMBank
Preferred
No
Name
CJ-27211
Role
alias
Source
SymMap_v2
Preferred
No
Name
CJ-27211
Role
alias
Source
TCMBank
Preferred
No
Name
CTK0H5800
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK0H5800
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 907A
Role
alias
Source
HERB_v2
Preferred
No
Name
Caswell No. 907A
Role
alias
Source
SymMap_v2
Preferred
No
Name
Caswell No. 907A
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 907A
Role
alias
Source
itcmdb_public
Preferred
No
Name
D0774
Role
alias
Source
SymMap_v2
Preferred
No
Name
D0774
Role
alias
Source
TCMBank
Preferred
No
Name
DB-010714
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB-010714
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_CID_1864
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_CID_1864
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_21864
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_GSID_21864
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_RID_76371
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_RID_76371
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID2021864
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID2021864
Role
alias
Source
TCMBank
Preferred
No
Name
Du Cor Concentrated Fly Insecticide
Role
alias
Source
SymMap_v2
Preferred
No
Name
Du Cor Concentrated Fly Insecticide
Role
alias
Source
TCMBank
Preferred
No
Name
EC 203-321-6
Role
alias
Source
SymMap_v2
Preferred
No
Name
EC 203-321-6
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 203-321-6
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 203-321-6
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 086804
Role
alias
Source
SymMap_v2
Preferred
No
Name
EPA Pesticide Chemical Code 086804
Role
alias
Source
TCMBank
Preferred
No
Name
F0001-0111
Role
alias
Source
SymMap_v2
Preferred
No
Name
F0001-0111
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0610239
Role
alias
Source
SymMap_v2
Preferred
No
Name
FT-0610239
Role
alias
Source
TCMBank
Preferred
No
Name
Gable-Tite Dark Creosote (Creola)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Gable-Tite Dark Creosote (Creola)
Role
alias
Source
TCMBank
Preferred
No
Name
Gable-Tite Light Creosote (Creola)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Gable-Tite Light Creosote (Creola)
Role
alias
Source
TCMBank
Preferred
No
Name
Gallex
Role
alias
Source
HERB_v2
Preferred
No
Name
Gallex
Role
alias
Source
SymMap_v2
Preferred
No
Name
Gallex
Role
alias
Source
TCMBank
Preferred
No
Name
Gallex
Role
alias
Source
itcmdb_public
Preferred
No
Name
HMS3039J10
Role
alias
Source
SymMap_v2
Preferred
No
Name
HMS3039J10
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 4253
Role
alias
Source
SymMap_v2
Preferred
No
Name
HSDB 4253
Role
alias
Source
TCMBank
Preferred
No
Name
I01-0459
Role
alias
Source
SymMap_v2
Preferred
No
Name
I01-0459
Role
alias
Source
TCMBank
Preferred
No
Name
Jsp000531
Role
alias
Source
SymMap_v2
Preferred
No
Name
Jsp000531
Role
alias
Source
TCMBank
Preferred
No
Name
KB-17696
Role
alias
Source
SymMap_v2
Preferred
No
Name
KB-17696
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00000WUH
Role
alias
Source
SymMap_v2
Preferred
No
Name
KS-00000WUH
Role
alias
Source
TCMBank
Preferred
No
Name
KSC175Q0B
Role
alias
Source
SymMap_v2
Preferred
No
Name
KSC175Q0B
Role
alias
Source
TCMBank
Preferred
No
Name
KUFFULVDNCHOFZ-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
KUFFULVDNCHOFZ-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
L077
Role
alias
Source
SymMap_v2
Preferred
No
Name
L077
Role
alias
Source
TCMBank
Preferred
No
Name
LS-391
Role
alias
Source
SymMap_v2
Preferred
No
Name
LS-391
Role
alias
Source
TCMBank
Preferred
No
Name
Lysol Brand disinfectant
Role
alias
Source
SymMap_v2
Preferred
No
Name
Lysol Brand disinfectant
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-2639440236
Role
alias
Source
SymMap_v2
Preferred
No
Name
MCULE-2639440236
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00002233
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00002233
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002152861
Role
alias
Source
SymMap_v2
Preferred
No
Name
MLS002152861
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-794-311
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-001-794-311
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091611-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00091611-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091611-02
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00091611-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091611-03
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00091611-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091611-04
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00091611-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091611-05
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00091611-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00253938-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00253938-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00259336-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00259336-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 3829
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC-3829
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol, 2,4-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,4-dimethyl-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Phenol, 2,4-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Phenol, 2,4-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
PubChem21747
Role
alias
Source
SymMap_v2
Preferred
No
Name
PubChem21747
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste no. U101
Role
alias
Source
SymMap_v2
Preferred
No
Name
RCRA waste no. U101
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste number U101
Role
alias
Source
HERB_v2
Preferred
No
Name
RCRA waste number U101
Role
alias
Source
SymMap_v2
Preferred
No
Name
RCRA waste number U101
Role
alias
Source
TCMBank
Preferred
No
Name
RCRA waste number U101
Role
alias
Source
itcmdb_public
Preferred
No
Name
RL00256
Role
alias
Source
SymMap_v2
Preferred
No
Name
RL00256
Role
alias
Source
TCMBank
Preferred
No
Name
RP19473
Role
alias
Source
SymMap_v2
Preferred
No
Name
RP19473
Role
alias
Source
TCMBank
Preferred
No
Name
RTR-033039
Role
alias
Source
SymMap_v2
Preferred
No
Name
RTR-033039
Role
alias
Source
TCMBank
Preferred
No
Name
SBB060657
Role
alias
Source
SymMap_v2
Preferred
No
Name
SBB060657
Role
alias
Source
TCMBank
Preferred
No
Name
SC-19129
Role
alias
Source
SymMap_v2
Preferred
No
Name
SC-19129
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL92167
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL92167
Role
alias
Source
TCMBank
Preferred
No
Name
SMR001224485
Role
alias
Source
SymMap_v2
Preferred
No
Name
SMR001224485
Role
alias
Source
TCMBank
Preferred
No
Name
ST2403687
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST2403687
Role
alias
Source
TCMBank
Preferred
No
Name
ST51046795
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST51046795
Role
alias
Source
TCMBank
Preferred
No
Name
STL146554
Role
alias
Source
SymMap_v2
Preferred
No
Name
STL146554
Role
alias
Source
TCMBank
Preferred
No
Name
TL8006088
Role
alias
Source
SymMap_v2
Preferred
No
Name
TL8006088
Role
alias
Source
TCMBank
Preferred
No
Name
TR-033039
Role
alias
Source
SymMap_v2
Preferred
No
Name
TR-033039
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_201787
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tox21_201787
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_300051
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tox21_300051
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-5OD803C081
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-5OD803C081
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-I4C43Y9C7V component KUFFULVDNCHOFZ-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-I4C43Y9C7V component KUFFULVDNCHOFZ-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
W-108780
Role
alias
Source
SymMap_v2
Preferred
No
Name
W-108780
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QR B1 D1
Role
alias
Source
SymMap_v2
Preferred
No
Name
WLN: QR B1 D1
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC1672873
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC1672873
Role
alias
Source
TCMBank
Preferred
No
Name
m-Xylenol
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Xylenol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-Dimethyl-4-hydroxybenzene1-Hydroxy-2,4-dimethylbenzene105-67-92,4-DMP2,4-Dimethylphenol 100 microg/mL in Methanol2,4-Dimethylphenol, 98%2,4-Dimethylphenol, 98% 100g2,4-Dimethylphenol, PESTANAL(R), analytical standard2,4-Dimethylphenol, analytical standard2,4-Xylenol2,4-Xylenol, >=98%2,4dimethylphenol4,6-Dimethylphenol4-06-00-03126 (Beilstein Handbook Reference)4-Hydroxy-1,3-dimethylbenzene5OD803C081AC1L1PIFAC1Q2QT6ACMC-1BSNQACT00460AI3-17612AJ-29277AK-86373AKOS000121556AM62796AN-22386ANW-15264BBL011443BB_SC-6950BG00600048BG01496753BIDD:ER0275BRN 0636244Benzene, 2,4-dimethyl-1-hydroxy-Bulk Lysol Brand DisinfectantC14582CAS-105-67-9CCRIS 721CHEBI:34241CHEMBL29878CJ-06145CJ-27211CTK0H5800Caswell No. 907AD0774DB-010714DSSTox_CID_1864DSSTox_GSID_21864DSSTox_RID_76371DTXSID2021864Du Cor Concentrated Fly InsecticideEC 203-321-6EINECS 203-321-6EPA Pesticide Chemical Code 086804F0001-0111FT-0610239Gable-Tite Dark Creosote (Creola)Gable-Tite Light Creosote (Creola)GallexHMS3039J10HSDB 4253I01-0459Jsp000531KB-17696KS-00000WUHKSC175Q0BKUFFULVDNCHOFZ-UHFFFAOYSA-NL077LS-391Lysol Brand disinfectantMCULE-2639440236MFCD00002233MLS002152861MolPort-001-794-311NCGC00091611-01NCGC00091611-02NCGC00091611-03NCGC00091611-04NCGC00091611-05NCGC00253938-01NCGC00259336-01NSC 3829NSC-3829Phenol, 2,4-dimethyl-PubChem21747RCRA waste no. U101RCRA waste number U101RL00256RP19473RTR-033039SBB060657SC-19129SCHEMBL92167SMR001224485ST2403687ST51046795STL146554TL8006088TR-033039Tox21_201787Tox21_300051UNII-5OD803C081UNII-I4C43Y9C7V component KUFFULVDNCHOFZ-UHFFFAOYSA-NW-108780WLN: QR B1 D1ZINC1672873m-Xylenol
Cross References
Trusted external identifiers retained for this final record.
Cas
105-67-9
Herb
HBIN004364
Npass
NPC204210
Tcmid
23973
Sym Map
SMIT01963
Tcm Id
8889
Pub Chem
7771
Tcmbank
TCMBANKIN035344
Etcm Ingredient
2,4-dimethylphenol
Itcmdb Generated
ITX-INGREDIENT-541B2F0CBFF6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
Mol Wt
122.167
Cas Id
105-67-9
Smiles
CC1=CC(=C(C=C1)O)C
Mol Log P
2.00904
Version
v1,v2
In Ch Ikey
KUFFULVDNCHOFZ-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.558
Num Hacceptors
1
Isomeric Smiles
CC1=CC(=C(C=C1)O)C
Molecule Weight
122.166
Canonical Smiles
CC1=CC(=C(C=C1)O)C
Herb Alias Names
105-67-92,4-Xylenolm-XylenolGallexPhenol, 2,4-dimethyl-4,6-Dimethylphenol1-Hydroxy-2,4-dimethylbenzeneRCRA waste number U101Caswell No. 907A
Molecular Weight
122.070
Molecular Weight
122.16
Molecule Formula
C8H10O
Molecular Formula
C8H10O
Molecular Formula
C8H10O
Molecular Formula
C8H10O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.424
Quantitative Estimate Of Drug Likeness（Qed）
0.558