Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 724
- Core Entity Id
- 3998
- Source Entity Count
- 1
- Preferred Name
- 2,4-bis(1-phenylethyl)phenol
- Name En
- Pubchem Id
- 102877
- Smiles Canonical
- CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3
- Molecular Formula
- C22H22O
- Molecular Weight
- 302.4170
- Inchikey
- RCFAHSGZAAFQJH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3
- Isomeric Smiles
- CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 5.6958
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-bis(1-phenylethyl)phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4-bis(1-phenylethyl)phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4-bis(1-phenylethyl)phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,4-DI(1-PHENYLETHYL)PHENOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-DI(1-PHENYLETHYL)PHENOL
Role
alias
Source
HERB_v2
Preferred
No
Name
2769-94-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
2769-94-0
Role
alias
Source
HERB_v2
Preferred
No
Name
8Q3R0CBD0S
Role
alias
Source
itcmdb_public
Preferred
No
Name
8Q3R0CBD0S
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-08264
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-08264
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50863021
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50863021
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 220-460-8
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 220-460-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2,4-bis(1-phenylethyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2,4-bis(1-phenylethyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, bis(1-phenylethyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, bis(1-phenylethyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-8Q3R0CBD0S
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8Q3R0CBD0S
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,4-DI(1-PHENYLETHYL)PHENOL2769-94-08Q3R0CBD0SAI3-08264DTXSID50863021EINECS 220-460-8Phenol, 2,4-bis(1-phenylethyl)-Phenol, bis(1-phenylethyl)-UNII-8Q3R0CBD0S
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004294
Npass
NPC271274
Tcmid
40691
Pub Chem
102877
Tcmbank
TCMBANKIN030970
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3
Mol Wt
302.417
Smiles
CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3
Mol Log P
5.695800000000006
In Ch Ikey
RCFAHSGZAAFQJH-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.656
Num Hacceptors
1
Isomeric Smiles
CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3
Canonical Smiles
CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3
Herb Alias Names
2769-94-0Phenol, 2,4-bis(1-phenylethyl)-UNII-8Q3R0CBD0S8Q3R0CBD0SPhenol, bis(1-phenylethyl)-EINECS 220-460-8AI3-08264DTXSID508630212,4-DI(1-PHENYLETHYL)PHENOL
Molecular Weight
302.4 g/mol
Molecular Formula
C22H22O
Molecular Formula
C22H22O
Num Rotatable Bonds
4