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

• ChemBase ID: 200902
• Molecular Formular: C25H20O5
• Molecular Mass: 400.4233
• Monoisotopic Mass: 400.13107374
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccc(C=C)cc1)cc2)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C25H20O5/c1-3-17-8-10-18(11-9-17)15-28-19-12-13-20-23(14-19)29-16-24(25(20)26)30-22-7-5-4-6-21(22)27-2/h3-14,16H,1,15H2,2H3
• InChIKey: FZQNJMCJZNZQKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256812
• PubChem CID: 1805908

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.372341
• LogD (pH = 7.4): 5.372341
• Log P: 5.372341
• Molar Refractivity: 114.7407 cm^3
• Polarizability: 44.01434 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds