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

• ChemBase ID: 227697
• Molecular Formular: C27H22O7
• Molecular Mass: 458.45938
• Monoisotopic Mass: 458.13655304
• SMILES: c12c(c3c(OC(=O)CC3c3ccc(cc3)OC)cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1CC(=O)Oc2c1c1occ(c(=O)c1c(c2)OC)c1ccc(cc1)OC
• InChI: InChI=1S/C27H22O7/c1-30-17-8-4-15(5-9-17)19-12-23(28)34-22-13-21(32-3)25-26(29)20(14-33-27(25)24(19)22)16-6-10-18(31-2)11-7-16/h4-11,13-14,19H,12H2,1-3H3
• InChIKey: OOGYPBAQYRLERO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283607
• PubChem CID: 71754820

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.1983013
• LogD (pH = 7.4): 4.1983013
• Log P: 4.1983013
• Molar Refractivity: 124.1707 cm^3
• Polarizability: 47.961975 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds