CAS 735275-21-5

rel-(1R,3S)-3-[2-(2-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-[2-(2-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring with a carboxylic acid group, which contributes to its acidity and potential reactivity. The presence of a 2-(2-chlorophenyl)-2-oxoethyl substituent indicates that the compound has both aromatic and carbonyl functionalities, which can influence its biological activity and solubility. The stereochemical configuration (1R,3S) suggests that the compound may exhibit specific interactions in biological systems, potentially affecting its pharmacological properties. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structure and the presence of the chlorophenyl group, which can enhance lipophilicity and biological activity. As with many organic compounds, its physical properties such as melting point, boiling point, and solubility would depend on the specific conditions and purity of the sample.

Formula: C₁₅H₁₇ClO₃

InChI: InChI=1/C15H17ClO3/c16-13-7-2-1-6-12(13)14(17)9-10-4-3-5-11(8-10)15(18)19/h1-2,6-7,10-11H,3-5,8-9H2,(H,18,19)/t10-,11+/s2

InChI key: InChIKey=ZEOGBHNFARNCLO-WIBLRKLZNA-N

SMILES: C(C[C@H]1C[C@@H](C(O)=O)CCC1)(=O)C2=C(Cl)C=CC=C2

Synonyms:

• rel-(1R,3S)-3-[2-(2-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-[2-(2-chlorophenyl)-2-oxoethyl]-, (1R,3S)-rel-