6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 187144
• Molecular Formular: C17H14O4
• Molecular Mass: 282.29066
• Monoisotopic Mass: 282.08920893
• SMILES: c1(cc(=O)c2c(o1)ccc(c2)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)c2c(o1)ccc(c2)OC
• InChI: InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)17-10-15(18)14-9-13(20-2)7-8-16(14)21-17/h3-10H,1-2H3
• InChIKey: ANVFDWBCVDQNEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 6-methoxy-2-(4-methoxyphenyl)chromen-4-one

Database IDs

• PubChem SID: 164243054
• PubChem CID: 688670

CALCULATED PROPERTIES

• Acid pKa: 15.6511
• 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: 30.298227 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