CAS 733742-59-1

rel-(1R,2S)-2-(2-Methylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-(2-Methylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,2S) configuration. This compound features a cyclohexane ring substituted with a carboxylic acid group and a 2-methylbenzoyl moiety, contributing to its unique chemical properties. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, while the aromatic 2-methylbenzoyl group may influence its solubility and reactivity. The stereochemistry of the molecule can significantly affect its biological activity and interactions with other substances, making it relevant in fields such as pharmaceuticals and organic synthesis. Additionally, the compound's molecular structure may lead to specific conformational preferences, impacting its physical properties like melting point and boiling point. Overall, rel-(1R,2S)-2-(2-Methylbenzoyl)cyclohexanecarboxylic acid is a complex organic molecule with potential applications in various chemical and biological contexts.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-10-6-2-3-7-11(10)14(16)12-8-4-5-9-13(12)15(17)18/h2-3,6-7,12-13H,4-5,8-9H2,1H3,(H,17,18)/t12-,13+/m0/s1

InChI key: InChIKey=FZGOZGATZZWODF-QWAQRTLVNA-N

SMILES: C(=O)([C@H]1[C@@H](C(O)=O)CCCC1)C2=C(C)C=CC=C2

Synonyms:

• Cyclohexanecarboxylic acid, 2-(2-methylbenzoyl)-, (1R,2S)-rel-
• rel-(1R,2S)-2-(2-Methylbenzoyl)cyclohexanecarboxylic acid