7-[(4-ethenylphenyl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 193787
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccc(C=C)cc1)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C25H20O4/c1-3-17-8-10-18(11-9-17)15-28-19-12-13-21-24(14-19)29-16-22(25(21)26)20-6-4-5-7-23(20)27-2/h3-14,16H,1,15H2,2H3
• InChIKey: YLIBBGJIHALXRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-ethenylphenyl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 7-[(4-ethenylphenyl)methoxy]-3-(2-methoxyphenyl)chromen-4-one

Database IDs

• PubChem SID: 164249697
• PubChem CID: 1579387

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: 43.42175 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