7,8-dihydroxy-5,6-dimethoxy-2-phenyl-4H-chromen-4-one

• ChemBase ID: 217321
• Molecular Formular: C17H14O6
• Molecular Mass: 314.28946
• Monoisotopic Mass: 314.07903817
• SMILES: c12c(oc(cc2=O)c2ccccc2)c(c(c(c1OC)OC)O)O
• Canonical SMILES: COc1c(OC)c(O)c(c2c1c(=O)cc(o2)c1ccccc1)O
• InChI: InChI=1S/C17H14O6/c1-21-16-12-10(18)8-11(9-6-4-3-5-7-9)23-15(12)13(19)14(20)17(16)22-2/h3-8,19-20H,1-2H3
• InChIKey: CEDINFOMXSQPIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dihydroxy-5,6-dimethoxy-2-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7,8-dihydroxy-5,6-dimethoxy-2-phenylchromen-4-one

Database IDs

• PubChem SID: 164273231
• PubChem CID: 8016699

CALCULATED PROPERTIES

• Acid pKa: 7.417784
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.0397408
• LogD (pH = 7.4): 1.7562724
• Log P: 2.0449119
• Molar Refractivity: 83.8594 cm^3
• Polarizability: 31.558031 Å^3
• Polar Surface Area: 85.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Protomers
• Classification: Genuine Natural Compounds