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

• ChemBase ID: 227870
• Molecular Formular: C24H24O6
• Molecular Mass: 408.44376
• Monoisotopic Mass: 408.15728849
• SMILES: c12c(=O)c(coc1c1c(OC(=O)CC1CC(C)C)cc2OC)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)CC(C)C
• InChI: InChI=1S/C24H24O6/c1-13(2)9-15-10-20(25)30-19-11-18(28-4)22-23(26)17(12-29-24(22)21(15)19)14-5-7-16(27-3)8-6-14/h5-8,11-13,15H,9-10H2,1-4H3
• InChIKey: NWVAKDLHHSYVNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283780
• PubChem CID: 71754988

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.398325
• LogD (pH = 7.4): 4.398325
• Log P: 4.398325
• Molar Refractivity: 111.3631 cm^3
• Polarizability: 43.21645 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds