7-(benzyloxy)-3-(3,4-dimethoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 198418
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccccc1)cc2)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)c1coc2c(c1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C24H20O5/c1-26-21-11-8-17(12-23(21)27-2)20-15-29-22-13-18(9-10-19(22)24(20)25)28-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3
• InChIKey: TUGWZDWBCHKIQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254328
• PubChem CID: 1802307

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.589028
• LogD (pH = 7.4): 4.589028
• Log P: 4.589028
• Molar Refractivity: 109.7424 cm^3
• Polarizability: 42.40918 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds