CAS 735270-18-5

cis-4-[2-(1-Methylethyl)benzoyl]cyclohexanecarboxylic acid

Description:

Cis-4-[2-(1-Methylethyl)benzoyl]cyclohexanecarboxylic acid is an organic compound characterized by its unique structural features, which include a cyclohexane ring and a carboxylic acid functional group. The presence of the isopropyl group (1-methylethyl) and the benzoyl moiety contributes to its hydrophobic characteristics, while the carboxylic acid group imparts acidic properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its cis configuration indicates that the substituents on the cyclohexane ring are oriented on the same side, which can influence its stereochemistry and reactivity. The compound may have applications in pharmaceuticals or materials science, particularly in the development of drug formulations or as an intermediate in organic synthesis. Additionally, its unique structure may lead to specific interactions in biological systems, making it of interest for further research in medicinal chemistry.

Formula: C₁₇H₂₂O₃

InChI: InChI=1/C17H22O3/c1-11(2)14-5-3-4-6-15(14)16(18)12-7-9-13(10-8-12)17(19)20/h3-6,11-13H,7-10H2,1-2H3,(H,19,20)/t12-,13+

InChI key: InChIKey=DMGDRRLSYISNSU-BETUJISGNA-N

SMILES: C(=O)(C1=C(C(C)C)C=CC=C1)[C@H]2CC[C@@H](C(O)=O)CC2

Synonyms:

• Cyclohexanecarboxylic acid, 4-[2-(1-methylethyl)benzoyl]-, cis-
• cis-4-[2-(1-Methylethyl)benzoyl]cyclohexanecarboxylic acid