CAS 735275-57-7

cis-4-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Cis-4-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its unique structural features, which include a cyclohexane ring and a carboxylic acid functional group. The presence of a bromophenyl substituent introduces significant lipophilicity and potential biological activity, while the keto group contributes to its reactivity and interaction with other molecules. The "cis" configuration indicates that the substituents on the cyclohexane ring are oriented on the same side, which can influence the compound's three-dimensional shape and, consequently, its chemical behavior and interactions. 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 reactivity in various solvents. Additionally, the presence of the bromine atom can enhance the compound's electrophilic character, making it a candidate for further chemical modifications or applications in medicinal chemistry. Overall, its structural complexity suggests potential utility in pharmaceutical development or as a research chemical.

Formula: C₁₅H₁₇BrO₃

InChI: InChI=1/C15H17BrO3/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=UQBNQQLWXYCNJS-KLPPZKSPNA-N

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

Synonyms:

• cis-4-[2-(4-Bromophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 4-[2-(4-bromophenyl)-2-oxoethyl]-, cis-