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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5960
- Core Entity Id
- 9809
- Source Entity Count
- 1
- Preferred Name
- 4-ethyl-2-methyl-phenol
- Name En
- Pubchem Id
- 34857
- Smiles Canonical
- CCC1=CC(=C(C=C1)O)C
- Molecular Formula
- C9H12O
- Molecular Weight
- 136.1940
- Inchikey
- QDQMEHXIUFCIGR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H12O/c1-3-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3
- Isomeric Smiles
- CCC1=CC(=C(C=C1)O)C
- Cas Id
- 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
4-Ethyl-2-Methyl-Phenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Ethyl-2-Methyl-Phenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-ethyl-2-methyl-phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-ethyl-2-methyl-phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-ethyl-2-methyl-phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Methyl-4-ethylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methyl-4-ethylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2219-73-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2219-73-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Ethyl-2-methylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Ethyl-2-methylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Ethyl-o-cresol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Ethyl-o-cresol
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 218-733-1
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 218-733-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-ethyl-2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-ethyl-2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Z98H442K3U
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Z98H442K3U
Role
alias
Source
itcmdb_public
Preferred
No
Name
Z98H442K3U
Role
alias
Source
HERB_v2
Preferred
No
Name
Z98H442K3U
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Cresol, 4-ethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Cresol, 4-ethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Methyl-4-ethylphenol2219-73-04-Ethyl-2-methylphenol4-Ethyl-o-cresolEINECS 218-733-1Phenol, 4-ethyl-2-methyl-UNII-Z98H442K3UZ98H442K3Uo-Cresol, 4-ethyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010383
Tcmid
34735
Sym Map
SMIT21490
Pub Chem
34857
Tcmbank
TCMBANKIN022865
Itcmdb Generated
ITX-INGREDIENT-2DC62E57F508
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H12O/c1-3-8-4-5-9(10)7(2)6-8/h4-6,10H,3H2,1-2H3
Mol Wt
136.194
Smiles
CCC1=CC(=C(C=C1)O)C
Mol Log P
2.26302
Version
v2
In Ch Ikey
QDQMEHXIUFCIGR-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.627
Num Hacceptors
1
Isomeric Smiles
CCC1=CC(=C(C=C1)O)C
Canonical Smiles
CCC1=CC(=C(C=C1)O)C
Herb Alias Names
4-Ethyl-2-methylphenol4-Ethyl-o-cresol2219-73-0o-Cresol, 4-ethyl-2-Methyl-4-ethylphenolPhenol, 4-ethyl-2-methyl-UNII-Z98H442K3UZ98H442K3UEINECS 218-733-1
Molecular Weight
136.19 g/mol
Molecular Formula
C9H12O
Molecular Formula
C9H12O
Num Rotatable Bonds
1