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

• ChemBase ID: 183818
• Molecular Formular: C17H14O4
• Molecular Mass: 282.29066
• Monoisotopic Mass: 282.08920893
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OC)OC)c1ccccc1
• Canonical SMILES: COc1cc(OC)cc2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C17H14O4/c1-19-12-8-14(20-2)17-13(11-6-4-3-5-7-11)10-16(18)21-15(17)9-12/h3-10H,1-2H3
• InChIKey: YYLAUZVFWOZLCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239728
• PubChem CID: 701671

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: 30.317167 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