(2Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoic acid

• ChemBase ID: 311449
• Molecular Formular: C16H14O3
• Molecular Mass: 254.28056
• Monoisotopic Mass: 254.09429431
• SMILES: C(=C\c1ccc(cc1)OC)(\C(=O)O)/c1ccccc1
• Canonical SMILES: COc1ccc(cc1)/C=C(/c1ccccc1)\C(=O)O
• InChI: InChI=1S/C16H14O3/c1-19-14-9-7-12(8-10-14)11-15(16(17)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,17,18)/b15-11-
• InChIKey: NHUQYXSTNXLJIW-PTNGSMBKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoic acid
• IUPAC Traditional name: (2Z)-3-(4-methoxyphenyl)-2-phenylprop-2-enoic acid
• Synonyms: (2Z)-3-(4-methoxyphenyl)-2-phenylacrylic acid

Database IDs

• CAS Number: 19319-32-5
• MDL Number: MFCD00598899

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6372168
• LogD (pH = 7.4): 0.26572502
• Log P: 3.6465027
• Molar Refractivity: 73.9752 cm^3
• Polarizability: 28.369867 Å^3
• Polar Surface Area: 46.53 Å^2