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

• ChemBase ID: 192042
• Molecular Formular: C17H14O4
• Molecular Mass: 282.29066
• Monoisotopic Mass: 282.08920893
• SMILES: c1(c2c(oc(=O)c1)cc(cc2)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OC
• InChI: InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-17(18)21-16-9-13(20-2)7-8-14(15)16/h3-10H,1-2H3
• InChIKey: OLCZQQVEYPSHCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247952
• PubChem CID: 888558

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9012156
• LogD (pH = 7.4): 2.9012156
• Log P: 2.9012156
• Molar Refractivity: 88.0277 cm^3
• Polarizability: 30.314505 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