Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5873
- Core Entity Id
- 9713
- Source Entity Count
- 1
- Preferred Name
- 4-butyl-phenol
- Name En
- Pubchem Id
- 15420
- Smiles Canonical
- CCCCC1=CC=C(C=C1)O
- Molecular Formula
- C10H14O
- Molecular Weight
- 150.2210
- Inchikey
- CYYZDBDROVLTJU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
- Isomeric Smiles
- CCCCC1=CC=C(C=C1)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7348
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-butyl-phenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-butyl-phenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-butyl-phenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Hydroxy-4-n-butylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hydroxy-4-n-butylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1638-22-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
1638-22-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Butylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Butylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-n-Butylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-n-Butylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-butyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 4-butyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, p-butyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, p-butyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Butylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Butylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Hydroxybutylbenzene
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Hydroxybutylbenzene
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-n-Butylphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
p-n-Butylphenol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Hydroxy-4-n-butylbenzene1638-22-84-Butylphenol4-n-ButylphenolPhenol, 4-butyl-Phenol, p-butylPhenol, p-butyl-p-Butylphenolp-Hydroxybutylbenzenep-n-Butylphenol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010284
Npass
NPC23167
Tcm Id
7852
Pub Chem
15420
Tcmbank
TCMBANKIN000904
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
Mol Wt
150.221
Smiles
CCCCC1=CC=C(C=C1)O
Mol Log P
2.734800000000001
In Ch Ikey
CYYZDBDROVLTJU-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.702
Num Hacceptors
1
Isomeric Smiles
CCCCC1=CC=C(C=C1)O
Canonical Smiles
CCCCC1=CC=C(C=C1)O
Herb Alias Names
4-Butylphenol4-n-Butylphenol1638-22-8Phenol, 4-butyl-p-Butylphenolp-HydroxybutylbenzenePhenol, p-butyl-1-Hydroxy-4-n-butylbenzenep-n-ButylphenolPhenol, p-butyl
Molecular Weight
150.22 g/mol
Molecular Formula
C10H14O
Molecular Formula
C10H14O
Num Rotatable Bonds
3