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

• ChemBase ID: 227545
• Molecular Formular: C23H22O6
• Molecular Mass: 394.41718
• Monoisotopic Mass: 394.14163842
• SMILES: c12c(c3c(OC(=O)CC3C(C)C)cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)C(C)C
• InChI: InChI=1S/C23H22O6/c1-12(2)15-9-19(24)29-18-10-17(27-4)21-22(25)16(11-28-23(21)20(15)18)13-5-7-14(26-3)8-6-13/h5-8,10-12,15H,9H2,1-4H3
• InChIKey: VSQQMYONTPPWHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283455
• PubChem CID: 71754675

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.9537563
• LogD (pH = 7.4): 3.9537563
• Log P: 3.9537563
• Molar Refractivity: 106.7621 cm^3
• Polarizability: 41.378536 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds