CAS 115865-15-1

3-Methyl-α-[(3-methylphenyl)methyl]benzenepropanoic acid

Description:

3-Methyl-α-[(3-methylphenyl)methyl]benzenepropanoic acid, identified by its CAS number 115865-15-1, is an organic compound characterized by its complex structure, which includes a propanoic acid moiety attached to a benzene ring that is further substituted with a methyl group and a 3-methylphenyl group. This compound is likely to exhibit properties typical of aromatic carboxylic acids, such as moderate solubility in organic solvents and potential acidity due to the carboxylic acid functional group. The presence of multiple methyl groups suggests that it may have increased hydrophobic characteristics, influencing its interactions in biological systems and its potential applications in pharmaceuticals or agrochemicals. Additionally, the steric hindrance introduced by the methyl substitutions may affect its reactivity and binding affinity in various chemical reactions. Overall, the compound's unique structure may confer specific biological activities or chemical properties, making it of interest in various fields of research.

Formula: C₁₈H₂₀O₂

InChI: InChI=1S/C18H20O2/c1-13-5-3-7-15(9-13)11-17(18(19)20)12-16-8-4-6-14(2)10-16/h3-10,17H,11-12H2,1-2H3,(H,19,20)

InChI key: InChIKey=MLCIHSYLNACGHG-UHFFFAOYSA-N

SMILES: C(C(CC1=CC(C)=CC=C1)C(O)=O)C2=CC(C)=CC=C2

Synonyms:

• 3-Methyl-α-[(3-methylphenyl)methyl]benzenepropanoic acid
• Benzenepropanoic acid, 3-methyl-α-[(3-methylphenyl)methyl]-