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

• ChemBase ID: 227807
• Molecular Formular: C28H24O8
• Molecular Mass: 488.48536
• Monoisotopic Mass: 488.14711773
• SMILES: c12c(c3C(c4c(cc(cc4)OC)OC)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(OC)cc1c2C(CC(=O)O1)c1ccc(cc1OC)OC
• InChI: InChI=1S/C28H24O8/c1-31-16-7-5-15(6-8-16)20-14-35-28-25-19(18-10-9-17(32-2)11-21(18)33-3)12-24(29)36-23(25)13-22(34-4)26(28)27(20)30/h5-11,13-14,19H,12H2,1-4H3
• InChIKey: IBPKGKKNXIEWJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283717
• PubChem CID: 71754926

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.04063
• LogD (pH = 7.4): 4.04063
• Log P: 4.04063
• Molar Refractivity: 130.6339 cm^3
• Polarizability: 50.49406 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds