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

• ChemBase ID: 193546
• Molecular Formular: C25H22O5
• Molecular Mass: 402.43918
• Monoisotopic Mass: 402.1467238
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1cc(OC)ccc1)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1cccc(c1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1OC)C
• InChI: InChI=1S/C25H22O5/c1-16-24(20-9-4-5-10-22(20)28-3)25(26)21-12-11-19(14-23(21)30-16)29-15-17-7-6-8-18(13-17)27-2/h4-14H,15H2,1-3H3
• InChIKey: BBLNEGDRWNLUMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249456
• PubChem CID: 1535546

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.7911005
• LogD (pH = 7.4): 4.7911005
• Log P: 4.7911005
• Molar Refractivity: 115.5615 cm^3
• Polarizability: 44.251167 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds