8-methoxy-3-[(2-methoxyphenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-one

• ChemBase ID: 190416
• Molecular Formular: C23H20O5
• Molecular Mass: 376.4019
• Monoisotopic Mass: 376.13107374
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1c(OC)cccc1)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCc1ccccc1OC
• InChI: InChI=1S/C23H20O5/c1-14-20(27-13-15-6-4-5-7-21(15)26-3)11-10-18-17-9-8-16(25-2)12-19(17)23(24)28-22(14)18/h4-12H,13H2,1-3H3
• InChIKey: VJIRYFDDXYWMAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-3-[(2-methoxyphenyl)methoxy]-4-methyl-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 8-methoxy-3-[(2-methoxyphenyl)methoxy]-4-methylbenzo[c]chromen-6-one

Database IDs

• PubChem SID: 164246326
• PubChem CID: 1325457

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.690208
• LogD (pH = 7.4): 4.690208
• Log P: 4.690208
• Molar Refractivity: 105.9825 cm^3
• Polarizability: 42.01671 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