CAS 735274-96-1

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

Description:

Rel-(1R,2S)-2-[2-(3-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its specific stereochemistry and functional groups. It features a cyclohexane ring substituted with a carboxylic acid group and an oxoethyl side chain that includes a 3-iodophenyl moiety. The presence of the iodine atom contributes to its unique reactivity and potential biological activity, as halogenated compounds often exhibit distinct pharmacological properties. The stereochemical configuration (1R,2S) indicates the spatial arrangement of atoms around the chiral centers, which can significantly influence the compound's interactions in biological systems. This compound may be of interest in medicinal chemistry and drug development due to its structural features, which could lead to specific interactions with biological targets. Additionally, the carboxylic acid functional group suggests potential for forming salts or esters, further expanding its utility in various chemical applications. Overall, this compound exemplifies the complexity and diversity of organic molecules in pharmaceutical research.

Formula: C₁₅H₁₇IO₃

InChI: InChI=1/C15H17IO3/c16-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)15(18)19/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,18,19)/t10-,13+/s2

InChI key: InChIKey=KRBZJRBTKJYOEH-KQKSKQCLNA-N

SMILES: C(C(=O)C1=CC(I)=CC=C1)[C@H]2[C@H](C(O)=O)CCCC2

Synonyms:

• Cyclohexanecarboxylic acid, 2-[2-(3-iodophenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(3-Iodophenyl)-2-oxoethyl]cyclohexanecarboxylic acid