2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione

• ChemBase ID: 220635
• Molecular Formular: C24H24O6
• Molecular Mass: 408.44376
• Monoisotopic Mass: 408.15728849
• SMILES: c12c3c(cc(=O)oc3cc(c1C(=O)CC(O2)c1c(cc(cc1)OC)OC)C)CCC
• Canonical SMILES: CCCc1cc(=O)oc2c1c1OC(CC(=O)c1c(c2)C)c1ccc(cc1OC)OC
• InChI: InChI=1S/C24H24O6/c1-5-6-14-10-21(26)29-20-9-13(2)22-17(25)12-19(30-24(22)23(14)20)16-8-7-15(27-3)11-18(16)28-4/h7-11,19H,5-6,12H2,1-4H3
• InChIKey: OZMCKIQIRHEUTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2H,3H,4H,8H-pyrano[2,3-f]chromene-4,8-dione
• IUPAC Traditional name: 2-(2,4-dimethoxyphenyl)-5-methyl-10-propyl-2H,3H-pyrano[2,3-f]chromene-4,8-dione

Database IDs

• PubChem SID: 164276545
• PubChem CID: 42648634

CALCULATED PROPERTIES

• Acid pKa: 14.268126
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.2925286
• LogD (pH = 7.4): 4.2925286
• Log P: 4.2925286
• Molar Refractivity: 112.2893 cm^3
• Polarizability: 43.148415 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