CAS 736136-53-1

trans-4-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Trans-4-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its cyclohexane backbone, which is substituted with a carboxylic acid group and a 4-chlorophenyl moiety. The presence of the trans configuration indicates that the substituents on the cyclohexane ring are positioned opposite each other, which can influence the compound's spatial orientation and reactivity. The 2-oxoethyl group contributes to the compound's potential reactivity, particularly in forming derivatives or participating in further chemical reactions. This compound may exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds, which can affect its solubility and interaction with biological systems. Additionally, the chlorophenyl group may impart specific electronic effects, potentially influencing the compound's biological activity or pharmacological properties. Overall, the structural features of trans-4-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid suggest it could be of interest in medicinal chemistry or material science.

Formula: C₁₅H₁₇ClO₃

InChI: InChI=1/C15H17ClO3/c16-13-7-5-11(6-8-13)14(17)9-10-1-3-12(4-2-10)15(18)19/h5-8,10,12H,1-4,9H2,(H,18,19)/t10-,12-

InChI key: InChIKey=COYXELRUTBMBIR-UMSPYCQHNA-N

SMILES: C(C[C@H]1CC[C@H](C(O)=O)CC1)(=O)C2=CC=C(Cl)C=C2

Synonyms:

• Cyclohexanecarboxylic acid, 4-[2-(4-chlorophenyl)-2-oxoethyl]-, trans-
• trans-4-[2-(4-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid