3-(2-methoxyphenoxy)-7-[(2-methylphenyl)methoxy]-4H-chromen-4-one

• ChemBase ID: 200614
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1c(C)cccc1)cc2)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1coc2c(c1=O)ccc(c2)OCc1ccccc1C
• InChI: InChI=1S/C24H20O5/c1-16-7-3-4-8-17(16)14-27-18-11-12-19-22(13-18)28-15-23(24(19)25)29-21-10-6-5-9-20(21)26-2/h3-13,15H,14H2,1-2H3
• InChIKey: ICEAIJRPAHJMDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-7-[(2-methylphenyl)methoxy]-4H-chromen-4-one
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-7-[(2-methylphenyl)methoxy]chromen-4-one

Database IDs

• PubChem SID: 164256524
• PubChem CID: 1307241

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.1490607
• LogD (pH = 7.4): 5.1490607
• Log P: 5.1490607
• Molar Refractivity: 110.0956 cm^3
• Polarizability: 42.263313 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds