7-[(4-ethenylphenyl)methoxy]-3-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 216045
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccc(C=C)cc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C25H20O4/c1-3-17-4-6-18(7-5-17)15-28-21-12-13-22-24(14-21)29-16-23(25(22)26)19-8-10-20(27-2)11-9-19/h3-14,16H,1,15H2,2H3
• InChIKey: RBEPOESQUMEBHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-ethenylphenyl)methoxy]-3-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 7-[(4-ethenylphenyl)methoxy]-3-(4-methoxyphenyl)chromen-4-one

Database IDs

• PubChem SID: 164271955
• PubChem CID: 1759134

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.483401
• LogD (pH = 7.4): 5.483401
• Log P: 5.483401
• Molar Refractivity: 112.9655 cm^3
• Polarizability: 43.419353 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