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

• ChemBase ID: 189588
• Molecular Formular: C23H18O5
• Molecular Mass: 374.38602
• Monoisotopic Mass: 374.11542368
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccccc1)cc2)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C23H18O5/c1-25-17-7-9-18(10-8-17)28-22-15-27-21-13-19(11-12-20(21)23(22)24)26-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
• InChIKey: RVPVDVMMDXTFAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245498
• PubChem CID: 1184515

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.635639
• LogD (pH = 7.4): 4.635639
• Log P: 4.635639
• Molar Refractivity: 105.0544 cm^3
• Polarizability: 40.49615 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds