CAS 735275-66-8

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

Description:

Cis-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 moiety introduces significant steric and electronic effects, influencing the compound's reactivity and potential biological activity. The cis configuration indicates that specific substituents on the cyclohexane ring are oriented on the same side, which can affect the compound's three-dimensional shape and interactions with biological targets. This compound may exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds, which can enhance its solubility in polar solvents. Additionally, the presence of the iodo substituent may impart unique characteristics, such as increased lipophilicity and potential for halogen bonding. Overall, the compound's structural complexity suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.

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-PHIMTYICNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 4-[2-(3-iodophenyl)-2-oxoethyl]-, cis-
• cis-4-[2-(3-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
• CIS-4-[2-(3-IODOPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID