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

• ChemBase ID: 227602
• Molecular Formular: C24H18O7
• Molecular Mass: 418.39552
• Monoisotopic Mass: 418.10525292
• SMILES: c12c(c3c(OC(=O)CC3c3occc3)cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1ccco1
• InChI: InChI=1S/C24H18O7/c1-27-14-7-5-13(6-8-14)16-12-30-24-21-15(17-4-3-9-29-17)10-20(25)31-19(21)11-18(28-2)22(24)23(16)26/h3-9,11-12,15H,10H2,1-2H3
• InChIKey: FABFMCFQHQQVDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283512
• PubChem CID: 71754727

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3382654
• LogD (pH = 7.4): 3.3382654
• Log P: 3.3382654
• Molar Refractivity: 110.1754 cm^3
• Polarizability: 42.336548 Å^3
• Polar Surface Area: 84.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds