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

• ChemBase ID: 227625
• Molecular Formular: C29H26O7
• Molecular Mass: 486.51254
• Monoisotopic Mass: 486.16785317
• SMILES: c12c(c3c(OC(=O)CC3c3ccc(OC(C)C)cc3)cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C29H26O7/c1-16(2)35-20-11-7-17(8-12-20)21-13-25(30)36-24-14-23(33-4)27-28(31)22(15-34-29(27)26(21)24)18-5-9-19(32-3)10-6-18/h5-12,14-16,21H,13H2,1-4H3
• InChIKey: INLQXVXZSMVSQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283535
• PubChem CID: 71754747

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.9716845
• LogD (pH = 7.4): 4.9716845
• Log P: 4.9716845
• Molar Refractivity: 133.3381 cm^3
• Polarizability: 51.638943 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds