7-(benzyloxy)-3-(3-methoxyphenoxy)-2-methyl-4H-chromen-4-one

• ChemBase ID: 199530
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1ccccc1)cc2)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)Oc1c(C)oc2c(c1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C24H20O5/c1-16-24(29-20-10-6-9-18(13-20)26-2)23(25)21-12-11-19(14-22(21)28-16)27-15-17-7-4-3-5-8-17/h3-14H,15H2,1-2H3
• InChIKey: BZUNFKAIUHTJAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-3-(3-methoxyphenoxy)-2-methyl-4H-chromen-4-one
• IUPAC Traditional name: 7-(benzyloxy)-3-(3-methoxyphenoxy)-2-methylchromen-4-one

Database IDs

• PubChem SID: 164255440
• PubChem CID: 1803815

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.837712
• LogD (pH = 7.4): 4.837712
• Log P: 4.837712
• Molar Refractivity: 110.8735 cm^3
• Polarizability: 42.33864 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