7-[(7-methoxy-2-oxo-2H-chromen-4-yl)methoxy]-3-phenyl-4H-chromen-4-one

• ChemBase ID: 196586
• Molecular Formular: C26H18O6
• Molecular Mass: 426.41752
• Monoisotopic Mass: 426.1103383
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1c3c(oc(=O)c1)cc(cc3)OC)cc2)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2COc1ccc2c(c1)occ(c2=O)c1ccccc1
• InChI: InChI=1S/C26H18O6/c1-29-18-7-9-20-17(11-25(27)32-24(20)12-18)14-30-19-8-10-21-23(13-19)31-15-22(26(21)28)16-5-3-2-4-6-16/h2-13,15H,14H2,1H3
• InChIKey: SDKHZRSSQSVVOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(7-methoxy-2-oxo-2H-chromen-4-yl)methoxy]-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-[(7-methoxy-2-oxochromen-4-yl)methoxy]-3-phenylchromen-4-one

Database IDs

• PubChem SID: 164252496
• PubChem CID: 1801256

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.342786
• LogD (pH = 7.4): 4.342786
• Log P: 4.342786
• Molar Refractivity: 118.0106 cm^3
• Polarizability: 45.265015 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds