CAS 733740-54-0

rel-(1R,2S)-2-[2-(4-Methylphenyl)-2-oxoethyl]cyclopentanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-(4-Methylphenyl)-2-oxoethyl]cyclopentanecarboxylic acid is a chiral compound characterized by its cyclopentane ring structure, which is substituted with a carboxylic acid group and a ketone moiety linked to a para-methylphenyl group. This compound exhibits specific stereochemistry, denoted by the (1R,2S) configuration, indicating the spatial arrangement of its atoms, which can influence its biological activity and reactivity. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may form salts or esters. Additionally, the aromatic ring contributes to the compound's hydrophobic characteristics, potentially affecting its solubility and interaction with biological systems. The compound's unique structure may also impart specific pharmacological properties, making it of interest in medicinal chemistry. Overall, its stereochemistry, functional groups, and structural features are crucial for understanding its chemical behavior and potential applications.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-10-5-7-11(8-6-10)14(16)9-12-3-2-4-13(12)15(17)18/h5-8,12-13H,2-4,9H2,1H3,(H,17,18)/t12-,13+/m0/s1

InChI key: InChIKey=RSWKQPLRONUBRY-QWAQRTLVNA-N

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

Synonyms:

• Cyclopentanecarboxylic acid, 2-[2-(4-methylphenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(4-Methylphenyl)-2-oxoethyl]cyclopentanecarboxylic acid