CAS 735269-71-3

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

Description:

Rel-(1R,3S)-3-(2-Methoxybenzoyl)cyclohexanecarboxylic acid is a chiral compound characterized by its cyclohexane ring structure, which features a carboxylic acid functional group and a methoxybenzoyl substituent. The specific stereochemistry indicated by the (1R,3S) configuration suggests that the compound has distinct spatial arrangements that can influence its biological activity and interactions. This compound is likely to exhibit moderate solubility in organic solvents due to the presence of the methoxy group, which can enhance its lipophilicity. The carboxylic acid group contributes to its acidity and potential for forming hydrogen bonds, which may affect its reactivity and solubility in aqueous environments. Additionally, the presence of the aromatic methoxybenzoyl moiety may impart unique electronic properties, making it of interest in medicinal chemistry and drug design. Overall, the compound's structural features suggest potential applications in pharmaceuticals, particularly in the development of compounds with specific biological activities.

Formula: C₁₅H₁₈O₄

InChI: InChI=1/C15H18O4/c1-19-13-8-3-2-7-12(13)14(16)10-5-4-6-11(9-10)15(17)18/h2-3,7-8,10-11H,4-6,9H2,1H3,(H,17,18)/t10-,11+/s2

InChI key: InChIKey=YICZHRLBELILNP-WIBLRKLZNA-N

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

Synonyms:

• rel-(1R,3S)-3-(2-Methoxybenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 3-(2-methoxybenzoyl)-, (1R,3S)-rel-