7-(benzyloxy)-3-(4-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 201561
• Molecular Formular: C23H18O4
• Molecular Mass: 358.38662
• Monoisotopic Mass: 358.12050906
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccccc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C23H18O4/c1-25-18-9-7-17(8-10-18)21-15-27-22-13-19(11-12-20(22)23(21)24)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
• InChIKey: ZMJWASOKXZNAGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-3-(4-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 7-(benzyloxy)-3-(4-methoxyphenyl)chromen-4-one

Database IDs

• PubChem SID: 164257471
• PubChem CID: 1760386

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.746699
• LogD (pH = 7.4): 4.746699
• Log P: 4.746699
• Molar Refractivity: 103.2792 cm^3
• Polarizability: 39.896305 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds