5-methoxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl benzoate

• ChemBase ID: 191485
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c(C(=O)/C=C/c2c(OC)cccc2)ccc(c1)OC)OC(=O)c1ccccc1
• Canonical SMILES: COc1ccc(c(c1)OC(=O)c1ccccc1)C(=O)/C=C/c1ccccc1OC
• InChI: InChI=1S/C24H20O5/c1-27-19-13-14-20(21(25)15-12-17-8-6-7-11-22(17)28-2)23(16-19)29-24(26)18-9-4-3-5-10-18/h3-16H,1-2H3/b15-12+
• InChIKey: BPVLTELEIQKMEH-NTCAYCPXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl benzoate
• IUPAC Traditional name: 5-methoxy-2-[(2E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl benzoate

Database IDs

• PubChem SID: 164247395
• PubChem CID: 5734345

CALCULATED PROPERTIES

• Acid pKa: 15.898716
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2364182
• LogD (pH = 7.4): 5.2364182
• Log P: 5.2364182
• Molar Refractivity: 111.6063 cm^3
• Polarizability: 42.51722 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds