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

• ChemBase ID: 193419
• Molecular Formular: C18H16O4
• Molecular Mass: 296.31724
• Monoisotopic Mass: 296.10485899
• SMILES: c12c(c(cc(=O)o1)c1ccc(cc1)OC)ccc(c2C)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2C)OC
• InChI: InChI=1S/C18H16O4/c1-11-16(21-3)9-8-14-15(10-17(19)22-18(11)14)12-4-6-13(20-2)7-5-12/h4-10H,1-3H3
• InChIKey: OYAWLTAUQJITGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249329
• PubChem CID: 906551

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.414637
• Log P: 3.414637
• Molar Refractivity: 93.0689 cm^3
• Polarizability: 32.08069 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.414637

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds