01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1,3-dimethoxy-5-(2-phenylethyl)benzene
- Molecular Formula
- C16H18O2
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=CC(=C1)CCC2=CC=CC=C2)OC
- Isomeric SMILES
- COC1=CC(=CC(=C1)CCC2=CC=CC=C2)OC
- InChI
- InChI=1S/C16H18O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
- Oral Bioavailability
- 70.795
- Drug Likeness
- 0.799
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient1 Herbs