CAS 736136-04-2

trans-4-(4-Methylbenzoyl)cyclohexanecarboxylic acid

Description:

Trans-4-(4-Methylbenzoyl)cyclohexanecarboxylic acid is an organic compound characterized by its cyclohexane ring structure substituted with a carboxylic acid group and a 4-methylbenzoyl moiety. This compound typically exhibits a solid state at room temperature and is likely to be a white to off-white crystalline substance. Its molecular structure suggests it may have specific stereochemical properties due to the trans configuration, which can influence its physical and chemical behavior, including solubility and melting point. The presence of both the carboxylic acid and the aromatic ketone functionalities indicates potential for hydrogen bonding and pi-stacking interactions, which may affect its reactivity and interactions with other molecules. Additionally, the compound may exhibit moderate to low solubility in non-polar solvents, while being more soluble in polar solvents due to the carboxylic acid group. Its applications could span various fields, including pharmaceuticals and materials science, depending on its reactivity and functional properties.

Formula: C₁₅H₁₈O₃

InChI: InChI=1/C15H18O3/c1-10-2-4-11(5-3-10)14(16)12-6-8-13(9-7-12)15(17)18/h2-5,12-13H,6-9H2,1H3,(H,17,18)/t12-,13-

InChI key: InChIKey=SGDLKJYEEFPOKZ-JOCQHMNTNA-N

SMILES: C(=O)([C@H]1CC[C@H](C(O)=O)CC1)C2=CC=C(C)C=C2

Synonyms:

• Cyclohexanecarboxylic acid, 4-(4-methylbenzoyl)-, trans-
• trans-4-(4-Methylbenzoyl)cyclohexanecarboxylic acid