7-[(4-ethenylphenyl)methoxy]-2-methyl-3-phenyl-4H-chromen-4-one

• ChemBase ID: 194847
• Molecular Formular: C25H20O3
• Molecular Mass: 368.4245
• Monoisotopic Mass: 368.1412445
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1ccc(C=C)cc1)cc2)c1ccccc1
• Canonical SMILES: C=Cc1ccc(cc1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C
• InChI: InChI=1S/C25H20O3/c1-3-18-9-11-19(12-10-18)16-27-21-13-14-22-23(15-21)28-17(2)24(25(22)26)20-7-5-4-6-8-20/h3-15H,1,16H2,2H3
• InChIKey: JDSVTPCKDYHSAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-ethenylphenyl)methoxy]-2-methyl-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-[(4-ethenylphenyl)methoxy]-2-methyl-3-phenylchromen-4-one

Database IDs

• PubChem SID: 164250757
• PubChem CID: 1798348

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.843145
• LogD (pH = 7.4): 5.843145
• Log P: 5.843145
• Molar Refractivity: 112.3214 cm^3
• Polarizability: 42.77057 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds