CAS 735274-77-8

rel-(1R,2S)-2-[2-(4-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Rel-(1R,2S)-2-[2-(4-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid, with CAS number 735274-77-8, is a chemical compound characterized by its cyclohexane backbone and a carboxylic acid functional group. The compound features a methoxyphenyl substituent, which contributes to its aromatic properties and potential biological activity. The specific stereochemistry indicated by the (1R,2S) configuration suggests that it has distinct spatial arrangements that can influence its reactivity and interactions with biological targets. This compound may exhibit properties typical of carboxylic acids, such as acidity and the ability to form hydrogen bonds, which can affect its solubility and reactivity in various solvents. Additionally, the presence of the methoxy group can enhance lipophilicity, potentially influencing its pharmacokinetic profile if it is studied for medicinal applications. Overall, the unique structural features of this compound may make it of interest in fields such as medicinal chemistry and drug development.

Formula: C₁₆H₂₀O₄

InChI: InChI=1/C16H20O4/c1-20-13-8-6-11(7-9-13)15(17)10-12-4-2-3-5-14(12)16(18)19/h6-9,12,14H,2-5,10H2,1H3,(H,18,19)/t12-,14+/s2

InChI key: InChIKey=ATDGHJHJVSRJFS-XGJSPVFONA-N

SMILES: C(C(=O)C1=CC=C(OC)C=C1)[C@H]2[C@H](C(O)=O)CCCC2

Synonyms:

• Cyclohexanecarboxylic acid, 2-[2-(4-methoxyphenyl)-2-oxoethyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[2-(4-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid