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

• ChemBase ID: 201027
• Molecular Formular: C23H18O5
• Molecular Mass: 374.38602
• Monoisotopic Mass: 374.11542368
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccccc1)cc2)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C23H18O5/c1-25-17-8-5-9-19(12-17)28-22-15-27-21-13-18(10-11-20(21)23(22)24)26-14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3
• InChIKey: MOWTYGGSGCLOFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256937
• PubChem CID: 1758843

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: 40.497036 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