3-(4-Isobutylphenyl)propanoic Acid

• CAT Number: R055154
• CAS Number: 65322-85-2
• Molecular Formula: C13H18O2
• Molecular Weight: 206.28
• Purity: ≥95%
• Synonyms: 4-(2-Methylpropyl)benzenepropanoic Acid; 3-(4’-Isobutylphenyl)propionic Acid; 3-(p-Isobutylphenyl)propionic Acid; Ibuprofen impurity F (EP)
• Target: COX
• Storage: -20°C
• IUPAC Name: 3-[4-(2-methylpropyl)phenyl]propanoic acid
• InChI: InChI=1S/C13H18O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
• InChIKey: DYNVRFFVBZVRND-UHFFFAOYSA-N
• SMILES: CC(C)CC1=CC=C(C=C1)CCC(=O)O

3-(4-Isobutylphenyl)propanoic acid(CAT: R055154) is a nonsteroidal anti-inflammatory compound best known as the core structure of ibuprofen, widely used for its analgesic, antipyretic, and anti-inflammatory properties. It features a propanoic acid chain attached to a para-substituted isobutylphenyl ring, contributing to its potent cyclooxygenase (COX) inhibition activity. This compound is frequently used in pharmaceutical research for developing ibuprofen analogs and studying NSAID pharmacodynamics. Its structure is also relevant in drug formulation and metabolic profiling.