7-[(4-ethenylphenyl)methoxy]-4-(4-methoxyphenyl)-2H-chromen-2-one

• ChemBase ID: 191992
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: c1(c2c(oc(=O)c1)cc(OCc1ccc(C=C)cc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C25H20O4/c1-3-17-4-6-18(7-5-17)16-28-21-12-13-22-23(15-25(26)29-24(22)14-21)19-8-10-20(27-2)11-9-19/h3-15H,1,16H2,2H3
• InChIKey: HCVPWMAZVRPLIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-ethenylphenyl)methoxy]-4-(4-methoxyphenyl)-2H-chromen-2-one
• IUPAC Traditional name: 7-[(4-ethenylphenyl)methoxy]-4-(4-methoxyphenyl)chromen-2-one

Database IDs

• PubChem SID: 164247902
• PubChem CID: 1769893

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.362391
• LogD (pH = 7.4): 5.362391
• Log P: 5.362391
• Molar Refractivity: 122.3266 cm^3
• Polarizability: 43.4345 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds