7-[(4-ethenylphenyl)methoxy]-5-hydroxy-2-phenyl-4H-chromen-4-one

• ChemBase ID: 202936
• Molecular Formular: C24H18O4
• Molecular Mass: 370.39732
• Monoisotopic Mass: 370.12050906
• SMILES: c12c(=O)cc(oc1cc(cc2O)OCc1ccc(C=C)cc1)c1ccccc1
• Canonical SMILES: C=Cc1ccc(cc1)COc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
• InChI: InChI=1S/C24H18O4/c1-2-16-8-10-17(11-9-16)15-27-19-12-20(25)24-21(26)14-22(28-23(24)13-19)18-6-4-3-5-7-18/h2-14,25H,1,15H2
• InChIKey: CLCAOWVPPHNIER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-ethenylphenyl)methoxy]-5-hydroxy-2-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-[(4-ethenylphenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one

Database IDs

• PubChem SID: 164258846
• PubChem CID: 5574293

CALCULATED PROPERTIES

• Acid pKa: 8.554524
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.616944
• LogD (pH = 7.4): 5.5881605
• Log P: 5.617324
• Molar Refractivity: 109.7142 cm^3
• Polarizability: 41.503803 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds