5-methoxy-3-(4-methoxyphenyl)-10-phenyl-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 228219
• Molecular Formular: C26H20O6
• Molecular Mass: 428.4334
• Monoisotopic Mass: 428.12598836
• SMILES: c12c(c3c(OC(=O)CC3c3ccccc3)cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C26H20O6/c1-29-17-10-8-16(9-11-17)19-14-31-26-23-18(15-6-4-3-5-7-15)12-22(27)32-21(23)13-20(30-2)24(26)25(19)28/h3-11,13-14,18H,12H2,1-2H3
• InChIKey: NHXLEVQANUCFRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-3-(4-methoxyphenyl)-10-phenyl-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-methoxy-3-(4-methoxyphenyl)-10-phenyl-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164284129
• PubChem CID: 71755334

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.355973
• LogD (pH = 7.4): 4.355973
• Log P: 4.355973
• Molar Refractivity: 117.7075 cm^3
• Polarizability: 45.435165 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds