CAS 735275-17-9

rel-(1R,3S)-3-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid, with the CAS number 735275-17-9, is a chemical compound characterized by its cyclohexane core structure, which is substituted at specific positions. The presence of a carboxylic acid functional group indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. The 4-chlorophenyl group contributes to its hydrophobic character and may influence its biological activity, potentially enhancing interactions with biological targets. The stereochemistry, denoted by the (1R,3S) configuration, suggests that the compound has specific spatial arrangements that can affect its reactivity and interactions with other molecules. This compound may be of interest in medicinal chemistry, particularly for its potential pharmacological properties. Its unique structure could lead to specific binding affinities and biological activities, making it a candidate for further research in drug development or as a biochemical probe.

Formula: C₁₅H₁₇ClO₃

InChI: InChI=1/C15H17ClO3/c16-13-6-4-11(5-7-13)14(17)9-10-2-1-3-12(8-10)15(18)19/h4-7,10,12H,1-3,8-9H2,(H,18,19)/t10-,12+/m0/s1

InChI key: InChIKey=XINNVJVACLFOKY-XWJGPBAUNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 3-[2-(4-chlorophenyl)-2-oxoethyl]-, (1R,3S)-rel-
• rel-(1R,3S)-3-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• CIS-3-[2-(4-CHLOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
• (1S,3R)-3-(2-(4-chlorophenyl)-2-oxoethyl)cyclohexane-1-carboxylic acid