Basic information
- Standard SMILES
COc1cccc(C(=O)O)c1-c1ccc(C(C)C)cc1- InChIKey
JMJSDHIQIDERGA-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 4'-Isopropyl-6-methoxy-biphenyl-2-carboxylic acid
- IUPAC
- 3-methoxy-2-(4-propan-2-ylphenyl)benzoic acid
Names & synonyms
SCHEMBL6695055JMJSDHIQIDERGA-UHFFFAOYSA-N4'-isopropyl-6-methoxy-biphenyl-2-carboxylic acid6-Methoxy-4'-(1-methylethyl)[1,1'-biphenyl]-2-carboxylic acid273727-21-2
Database identifiers
- PubChem CID
- 18545474
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Related reactions
2 records
Compound notes
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