Basic information
- Standard SMILES
COc1ccc(C(=O)c2ccc(C)cc2)c(C(=O)O)c1- InChIKey
NVGGTGPQGLICJQ-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
Names & identifiers
- Preferred name
- 5-Methoxy-2-(4-methylbenzoyl)benzoic acid
- IUPAC
- 5-methoxy-2-(4-methylbenzoyl)benzoic acid
Names & synonyms
SCHEMBL4838995NVGGTGPQGLICJQ-UHFFFAOYSA-N5-methoxy-2-(4-methylbenzoyl)benzoic acid
Database identifiers
- PubChem CID
- 69211636
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Related reactions
3 records
Compound notes
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