CAS 735269-69-9

rel-(1R,3S)-3-(3-Methylbenzoyl)cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-(3-Methylbenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which features a carboxylic acid functional group and a 3-methylbenzoyl substituent. The specific stereochemistry indicated by the (1R,3S) configuration suggests that the compound has distinct spatial arrangements that can influence its chemical behavior and interactions, particularly in biological systems. This compound is likely to exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds, which can affect its solubility and reactivity. The presence of the aromatic 3-methylbenzoyl group may also contribute to its hydrophobic characteristics and potential interactions with other organic molecules. Due to its chiral nature, this compound may exhibit different pharmacological activities depending on its stereoisomeric form, making it of interest in medicinal chemistry and drug development. Overall, its unique structure and properties make it a subject of interest in various chemical and pharmaceutical applications.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-10-4-2-5-11(8-10)14(16)12-6-3-7-13(9-12)15(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18)/t12-,13+/s2

InChI key: InChIKey=CRVGWBFUJRSQOX-QWAQRTLVNA-N

SMILES: C(=O)([C@H]1C[C@@H](C(O)=O)CCC1)C2=CC(C)=CC=C2

Synonyms:

• rel-(1R,3S)-3-(3-Methylbenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-(3-methylbenzoyl)-, (1R,3S)-rel-