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
- 1807
- Core Entity Id
- 5196
- Source Entity Count
- 1
- Preferred Name
- 2-ethyl-4-methylphenol
- Name En
- Pubchem Id
- 77462
- Smiles Canonical
- CCC1=C(C=CC(=C1)C)O
- Molecular Formula
- C9H12O
- Molecular Weight
- 136.1940
- Inchikey
- AVVVXUXMKWPKAJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3
- Isomeric Smiles
- CCC1=C(C=CC(=C1)C)O
- Cas Id
- 3855-26-3
- Ob Score
- Mol Logp
- 2.2630
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-ethyl-4-methylphenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-ethyl-4-methylphenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-ethyl-4-methylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-ethyl-4-methylphenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Ethyl-p-cresol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Ethyl-p-cresol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Ethyl-p-cresol, 8CI
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Ethyl-p-cresol, 8CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-ethyl-4-methyl-phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-ethyl-4-methyl-phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3855-26-3
Role
alias
Source
HERB_v2
Preferred
No
Name
3855-26-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 223-361-8
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 223-361-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
L4679W99NC
Role
alias
Source
HERB_v2
Preferred
No
Name
L4679W99NC
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 2-ethyl-4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 2-ethyl-4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-L4679W99NC
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-L4679W99NC
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Cresol, 2-ethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Cresol, 2-ethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Ethyl-p-cresol2-Ethyl-p-cresol, 8CI2-ethyl-4-methyl-phenol3855-26-3EINECS 223-361-8L4679W99NCPhenol, 2-ethyl-4-methyl-UNII-L4679W99NCp-Cresol, 2-ethyl-
Cross References
Trusted external identifiers retained for this final record.
Cas
3855-26-3
Herb
HBIN005612
Npass
NPC85360
Tcm Id
8657
Pub Chem
77462
Tcmbank
TCMBANKIN022453
Etcm Ingredient
2-ethyl-4-methylphenol
Itcmdb Generated
ITX-INGREDIENT-885BD986FB91
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H12O/c1-3-8-6-7(2)4-5-9(8)10/h4-6,10H,3H2,1-2H3
Mol Wt
136.194
Cas Id
3855-26-3
Smiles
CCC1=C(C=CC(=C1)C)O
Mol Log P
2.26302
In Ch Ikey
AVVVXUXMKWPKAJ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.627
Num Hacceptors
1
Isomeric Smiles
CCC1=C(C=CC(=C1)C)O
Canonical Smiles
CCC1=C(C=CC(=C1)C)O
Herb Alias Names
2-Ethyl-p-cresol3855-26-3p-Cresol, 2-ethyl-Phenol, 2-ethyl-4-methyl-2-ethyl-4-methyl-phenolEINECS 223-361-8UNII-L4679W99NCL4679W99NC2-Ethyl-p-cresol, 8CI
Molecular Weight
136.090
Molecular Weight
136.19
Molecular Formula
C9H12O
Molecular Formula
C9H12O
Molecular Formula
C9H12O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.140
Quantitative Estimate Of Drug Likeness（Qed）
0.627