CAS 735275-06-6

rel-(1R,3S)-3-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,3S)-3-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid, identified by its CAS number 735275-06-6, is a chiral compound characterized by its cyclohexane ring structure, which features a carboxylic acid functional group and a ketone moiety attached to a phenyl group. The specific stereochemistry indicated by the (1R,3S) configuration suggests that the compound exhibits optical activity, which can influence its biological interactions and pharmacological properties. The presence of the 3-methylphenyl group contributes to its hydrophobic characteristics, potentially affecting its solubility and reactivity. This compound may be of interest in medicinal chemistry due to its structural features that could interact with biological targets. Additionally, the carboxylic acid group may participate in hydrogen bonding, influencing its behavior in various chemical environments. Overall, the unique structural and stereochemical attributes of this compound make it a subject of interest for further research in organic synthesis and drug development.

Formula: C₁₆H₂₀O₃

InChI: InChI=1/C16H20O3/c1-11-4-2-6-13(8-11)15(17)10-12-5-3-7-14(9-12)16(18)19/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/s2

InChI key: InChIKey=JHRSKEGQMKSWEL-XGJSPVFONA-N

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

Synonyms:

• Cyclohexanecarboxylic acid, 3-[2-(3-methylphenyl)-2-oxoethyl]-, (1R,3S)-rel-
• rel-(1R,3S)-3-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid