2-(2,4-Dimethylbenzoyl)-6-methylbenzoic acid

Substructure search Find similar structures

Basic information

CAS: 2346-64-7
Standard SMILES: Cc1ccc(C(=O)c2cccc(C)c2C(=O)O)c(C)c1
InChIKey: IBOIOJRDJBQGAP-UHFFFAOYSA-N
Molecular formula: C17H16O3
Average molar mass: 268.31 g/mol
Monoisotopic mass: 268.10994437

Names & identifiers

Preferred name: 2-(2,4-Dimethylbenzoyl)-6-methylbenzoic acid
IUPAC: 2-(2,4-dimethylbenzoyl)-6-methylbenzoic acid

Names & synonyms

2-(2,4-dimethylbenzoyl)-6-methylbenzoic acid2346-64-7NSC 408629NSC408629DTXSID30325096NSC-408629DS-010383BENZOIC ACID,2-(2,4-DIMETHYLBENZOYL)-6-METHYL-

Database identifiers

CAS: 2346-64-7
PubChem CID: 349074
DTXSID: DTXSID30325096

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 376

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…