7,8-dimethoxy-4-phenyl-2H-chromen-2-one

• ChemBase ID: 187106
• Molecular Formular: C17H14O4
• Molecular Mass: 282.29066
• Monoisotopic Mass: 282.08920893
• SMILES: c12c(c(cc(=O)o2)c2ccccc2)ccc(c1OC)OC
• Canonical SMILES: COc1c(OC)ccc2c1oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C17H14O4/c1-19-14-9-8-12-13(11-6-4-3-5-7-11)10-15(18)21-16(12)17(14)20-2/h3-10H,1-2H3
• InChIKey: CKSRQDSVNLXONV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxy-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7,8-dimethoxy-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164243016
• PubChem CID: 854479

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: 30.319157 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