CAS 735269-84-8

rel-(1R,3S)-3-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its specific stereochemistry, indicated by the (1R,3S) configuration. This compound features a cyclohexane ring substituted with a carboxylic acid group and a 2,5-dimethylbenzoyl moiety, which contributes to its unique physical and chemical properties. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions, while the aromatic dimethylbenzoyl group may enhance its hydrophobic characteristics and influence its solubility in organic solvents. The stereochemistry of the molecule is crucial for its biological activity and interactions, making it of interest in fields such as pharmaceuticals and materials science. Additionally, the compound's CAS number, 735269-84-8, allows for easy identification and retrieval of information in chemical databases. Overall, this compound's structural features suggest potential applications in various chemical and biological contexts, particularly where chirality plays a significant role.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-10-6-7-11(2)14(8-10)15(17)12-4-3-5-13(9-12)16(18)19/h6-8,12-13H,3-5,9H2,1-2H3,(H,18,19)/t12-,13+/s2

InChI key: InChIKey=ARONDEQJGSUZSU-QWAQRTLVNA-N

SMILES: C(=O)(C1=C(C)C=CC(C)=C1)[C@H]2C[C@@H](C(O)=O)CCC2

Synonyms:

• Cyclohexanecarboxylic acid, 3-(2,5-dimethylbenzoyl)-, (1R,3S)-rel-
• rel-(1R,3S)-3-(2,5-Dimethylbenzoyl)cyclohexanecarboxylic acid