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

• ChemBase ID: 189987
• Molecular Formular: C23H20O5
• Molecular Mass: 376.4019
• Monoisotopic Mass: 376.13107374
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1cc(OC)ccc1)ccc(c3)OC
• Canonical SMILES: COc1cccc(c1)COc1ccc2c(c1C)oc(=O)c1c2ccc(c1)OC
• InChI: InChI=1S/C23H20O5/c1-14-21(27-13-15-5-4-6-16(11-15)25-2)10-9-19-18-8-7-17(26-3)12-20(18)23(24)28-22(14)19/h4-12H,13H2,1-3H3
• InChIKey: LSSAAQRFNLLVFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245897
• PubChem CID: 1187323

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: 42.016434 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