CAS 736136-60-0

trans-4-[2-(3-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Trans-4-[2-(3-Iodophenyl)-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 the 3-iodophenyl group introduces significant steric and electronic effects, influencing the compound's reactivity and potential biological activity. The trans configuration of the molecule suggests that the substituents are positioned on opposite sides of the cyclohexane ring, which can affect its conformational stability and interactions with other molecules. This compound may exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds. Additionally, the presence of the iodo substituent can enhance lipophilicity and may impact the compound's pharmacokinetics if it is evaluated for medicinal applications. Overall, the combination of these structural elements contributes to the compound's potential utility in various chemical and pharmaceutical contexts.

Formula: C₁₅H₁₇IO₃

InChI: InChI=1/C15H17IO3/c16-13-3-1-2-12(9-13)14(17)8-10-4-6-11(7-5-10)15(18)19/h1-3,9-11H,4-8H2,(H,18,19)/t10-,11-

InChI key: InChIKey=WZTJTPOZAYVYAV-XYPYZODXNA-N

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

Synonyms:

• trans-4-[2-(3-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 4-[2-(3-iodophenyl)-2-oxoethyl]-, trans-