Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 67384
- Core Entity Id
- 130033
- Source Entity Count
- 1
- Preferred Name
- 2-Benzylphenol
- Name En
- Pubchem Id
- 24216
- Smiles Canonical
- C1=CC=C(C=C1)CC2=CC=CC=C2O
- Molecular Formula
- C13H12O
- Molecular Weight
- 184.0900
- Inchikey
- CDMGNVWZXRKJNS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.6000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Benzylphenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
2-Benzylphenol
Itcmdb Generated
ITX-INGREDIENT-35330FACFAD1
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
184.090
Molecular Formula
C13H12O
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.760