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

• ChemBase ID: 199062
• Molecular Formular: C18H16O4
• Molecular Mass: 296.31724
• Monoisotopic Mass: 296.10485899
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OC
• InChI: InChI=1S/C18H16O4/c1-11-17(12-4-6-13(20-2)7-5-12)18(19)15-9-8-14(21-3)10-16(15)22-11/h4-10H,1-3H3
• InChIKey: QHMHKLMWWCUVOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254972
• PubChem CID: 746413

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2242985
• LogD (pH = 7.4): 3.2242985
• Log P: 3.2242985
• Molar Refractivity: 84.4857 cm^3
• Polarizability: 32.14033 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds