CAS 898766-97-7

3-(2-Oxo-2-phenylethyl)benzoic acid

Description:

3-(2-Oxo-2-phenylethyl)benzoic acid, identified by its CAS number 898766-97-7, is an organic compound characterized by its benzoic acid structure with a phenyl group and a ketone functional group. This compound features a carboxylic acid (-COOH) group, which contributes to its acidic properties and solubility in polar solvents. The presence of the phenyl group enhances its hydrophobic characteristics, while the ketone moiety introduces reactivity that can be exploited in various chemical reactions. Typically, compounds like this may exhibit biological activity, making them of interest in pharmaceutical research. The molecular structure suggests potential for intermolecular interactions, such as hydrogen bonding, which can influence its physical properties, including melting point and solubility. Additionally, the compound may undergo various transformations, including esterification or reduction, depending on the reaction conditions. Overall, 3-(2-Oxo-2-phenylethyl)benzoic acid is a versatile compound with potential applications in organic synthesis and medicinal chemistry.

Formula: C₁₅H₁₂O₃

InChI: InChI=1S/C15H12O3/c16-14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)15(17)18/h1-9H,10H2,(H,17,18)

InChI key: InChIKey=HTDCVDAWNDDIMJ-UHFFFAOYSA-N

SMILES: C(C(=O)C1=CC=CC=C1)C2=CC(C(O)=O)=CC=C2

Synonyms:

• 3-(2-Oxo-2-phenylethyl)benzoic acid
• Benzoic acid, 3-(2-oxo-2-phenylethyl)-