CAS 735269-72-4

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

Description:

Rel-(1R,3S)-3-(3-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 reactivity, making it a candidate for various chemical reactions, including esterification and amidation. Additionally, the presence of the aromatic methoxybenzoyl moiety may impart unique electronic properties, potentially affecting its pharmacological profile. Overall, this compound's structural features suggest it could be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways.

Formula: C₁₅H₁₈O₄

InChI: InChI=1/C15H18O4/c1-19-13-7-3-5-11(9-13)14(16)10-4-2-6-12(8-10)15(17)18/h3,5,7,9-10,12H,2,4,6,8H2,1H3,(H,17,18)/t10-,12+/m0/s1

InChI key: InChIKey=WLLTZNKQSVRPKW-XWJGPBAUNA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 3-(3-methoxybenzoyl)-, (1R,3S)-rel-
• rel-(1R,3S)-3-(3-Methoxybenzoyl)cyclohexanecarboxylic acid
• CIS-3-(3-METHOXYBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
• (1S,3R)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid