4-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-8-methyl-2H-chromen-2-one

• ChemBase ID: 188344
• Molecular Formular: C25H22O5
• Molecular Mass: 402.43918
• Monoisotopic Mass: 402.1467238
• SMILES: c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)OCc1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OCc1ccccc1OC
• InChI: InChI=1S/C25H22O5/c1-16-22(29-15-18-6-4-5-7-23(18)28-3)13-12-20-21(14-24(26)30-25(16)20)17-8-10-19(27-2)11-9-17/h4-14H,15H2,1-3H3
• InChIKey: QZEITQUBGRUXQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-8-methyl-2H-chromen-2-one
• IUPAC Traditional name: 4-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-8-methylchromen-2-one

Database IDs

• PubChem SID: 164244254
• PubChem CID: 1325500

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.981439
• LogD (pH = 7.4): 4.981439
• Log P: 4.981439
• Molar Refractivity: 124.1447 cm^3
• Polarizability: 44.189053 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds