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

• ChemBase ID: 220612
• Molecular Formular: C22H20O6
• Molecular Mass: 380.3906
• Monoisotopic Mass: 380.12598836
• SMILES: c12c3c(cc(=O)oc3cc(c1C(=O)CC(O2)c1cc(c(cc1)OC)OC)C)C
• Canonical SMILES: COc1ccc(cc1OC)C1CC(=O)c2c(O1)c1c(C)cc(=O)oc1cc2C
• InChI: InChI=1S/C22H20O6/c1-11-7-18-21(12(2)8-19(24)27-18)22-20(11)14(23)10-16(28-22)13-5-6-15(25-3)17(9-13)26-4/h5-9,16H,10H2,1-4H3
• InChIKey: ABINWXZLTCRQLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276522
• PubChem CID: 42648629

CALCULATED PROPERTIES

• Acid pKa: 14.5470295
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4033914
• LogD (pH = 7.4): 3.4033914
• Log P: 3.4033914
• Molar Refractivity: 103.0873 cm^3
• Polarizability: 39.47514 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds