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

• ChemBase ID: 194812
• Molecular Formular: C26H22O4
• Molecular Mass: 398.45048
• Monoisotopic Mass: 398.15180918
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1ccc(C=C)cc1)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1c(C)oc2c(c1=O)ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C26H22O4/c1-4-18-9-11-19(12-10-18)16-29-20-13-14-22-24(15-20)30-17(2)25(26(22)27)21-7-5-6-8-23(21)28-3/h4-15H,1,16H2,2-3H3
• InChIKey: SNDJAYCWIFROPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250722
• PubChem CID: 1798291

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.685474
• LogD (pH = 7.4): 5.685474
• Log P: 5.685474
• Molar Refractivity: 118.7846 cm^3
• Polarizability: 45.26613 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds