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

• ChemBase ID: 305570
• Molecular Formular: C17H14O5
• Molecular Mass: 298.29006
• Monoisotopic Mass: 298.08412355
• SMILES: c1(cc(c2c(c1OC)oc(cc2=O)c1ccccc1)O)OC
• Canonical SMILES: COc1c(OC)cc(c2c1oc(cc2=O)c1ccccc1)O
• InChI: InChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3
• InChIKey: IHLSBQVBFDTNTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-7,8-dimethoxy-2-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-O-methylwogonin
• Synonyms: 7-O-Methylwogonin; Moslosooflavone

Database IDs

• CAS Number: 3570-62-5

CALCULATED PROPERTIES

• Acid pKa: 7.8804474
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9966857
• LogD (pH = 7.4): 2.8754308
• Log P: 2.9984772
• Molar Refractivity: 81.8785 cm^3
• Polarizability: 30.922443 Å^3
• Polar Surface Area: 64.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow powder