8-(2-methoxyphenoxymethyl)-7-[(2-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 194876
• Molecular Formular: C31H26O6
• Molecular Mass: 494.53454
• Monoisotopic Mass: 494.17293855
• SMILES: c12c(COc3c(OC)cccc3)c(OCc3c(OC)cccc3)ccc1c(cc(=O)o2)c1ccccc1
• Canonical SMILES: COc1ccccc1OCc1c(OCc2ccccc2OC)ccc2c1oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C31H26O6/c1-33-26-13-7-6-12-22(26)19-35-27-17-16-23-24(21-10-4-3-5-11-21)18-30(32)37-31(23)25(27)20-36-29-15-9-8-14-28(29)34-2/h3-18H,19-20H2,1-2H3
• InChIKey: PUQCURWDSWVXOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-methoxyphenoxymethyl)-7-[(2-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 8-(2-methoxyphenoxymethyl)-7-[(2-methoxyphenyl)methoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164250786
• PubChem CID: 1798401

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 6.0348196
• LogD (pH = 7.4): 6.0348196
• Log P: 6.0348196
• Molar Refractivity: 150.1793 cm^3
• Polarizability: 54.53499 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds