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

• ChemBase ID: 202118
• Molecular Formular: C17H14O4
• Molecular Mass: 282.29066
• Monoisotopic Mass: 282.08920893
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OC)c1c(OC)cccc1
• Canonical SMILES: COc1ccc2c(c1)occ(c2=O)c1ccccc1OC
• InChI: InChI=1S/C17H14O4/c1-19-11-7-8-13-16(9-11)21-10-14(17(13)18)12-5-3-4-6-15(12)20-2/h3-10H,1-2H3
• InChIKey: OCKZEEGZDCPPML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164258028
• PubChem CID: 721224

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0222259
• LogD (pH = 7.4): 3.0222259
• Log P: 3.0222259
• Molar Refractivity: 78.6666 cm^3
• Polarizability: 30.302053 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