7-[(3,5-dimethylphenyl)methoxy]-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2H-chromen-2-one

• ChemBase ID: 204301
• Molecular Formular: C29H24O6
• Molecular Mass: 468.49726
• Monoisotopic Mass: 468.15728849
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(OCc1cc(cc(c1)C)C)cc2)C
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2C)OCc1cc(C)cc(c1)C
• InChI: InChI=1S/C29H24O6/c1-16-10-17(2)12-19(11-16)15-33-24-9-8-21-22(14-26(30)34-27(21)18(24)3)23-13-20-6-5-7-25(32-4)28(20)35-29(23)31/h5-14H,15H2,1-4H3
• InChIKey: UOSRSWJJWZDNMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(3,5-dimethylphenyl)methoxy]-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(3,5-dimethylphenyl)methoxy]-4-(8-methoxy-2-oxochromen-3-yl)-8-methylchromen-2-one

Database IDs

• PubChem SID: 164260211
• PubChem CID: 1768349

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.858196
• LogD (pH = 7.4): 5.858196
• Log P: 5.858196
• Molar Refractivity: 133.3947 cm^3
• Polarizability: 50.57959 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds