5,7-dimethoxy-2-phenyl-4H-chromen-4-one

• ChemBase ID: 186502
• Molecular Formular: C17H14O4
• Molecular Mass: 282.29066
• Monoisotopic Mass: 282.08920893
• SMILES: c12c(=O)cc(oc1cc(cc2OC)OC)c1ccccc1
• Canonical SMILES: COc1cc(OC)c2c(c1)oc(cc2=O)c1ccccc1
• InChI: InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
• InChIKey: JRFZSUMZAUHNSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethoxy-2-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 5,7-dimethoxyflavone

Database IDs

• PubChem SID: 164242412
• PubChem CID: 88881

CALCULATED PROPERTIES

• Acid pKa: 15.364721
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6520426
• LogD (pH = 7.4): 2.6520426
• Log P: 2.6520426
• Molar Refractivity: 79.8976 cm^3
• Polarizability: 30.30199 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Genuine Natural Compounds