CAS 735275-71-5

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

Description:

Cis-4-[2-(2-Nitrophenyl)-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 nitrophenyl moiety introduces significant polarity and potential for hydrogen bonding, influencing its solubility and reactivity. The cis configuration of the substituents on the cyclohexane ring affects the compound's three-dimensional conformation, which can impact its biological activity and interaction with other molecules. This compound may exhibit properties typical of carboxylic acids, such as acidity and the ability to form esters or amides. Additionally, the nitro group can enhance the compound's reactivity, making it a potential candidate for various chemical reactions or applications in medicinal chemistry. Its specific characteristics, including melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound's unique structure suggests potential utility in pharmaceutical or chemical research.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(12-3-1-2-4-13(12)16(20)21)9-10-5-7-11(8-6-10)15(18)19/h1-4,10-11H,5-9H2,(H,18,19)/t10-,11+

InChI key: InChIKey=YRQGIMYHPKDGPX-PHIMTYICNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 4-[2-(2-nitrophenyl)-2-oxoethyl]-, cis-
• cis-4-[2-(2-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid