ethyl 4-oxo-3-(5-phenylfuran-2-yl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 226586
• Molecular Formular: C24H18O6
• Molecular Mass: 402.39612
• Monoisotopic Mass: 402.1103383
• SMILES: c12c(OC(C1c1oc(cc1)c1ccccc1)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(o1)c1ccccc1)c(=O)oc1c2cccc1
• InChI: InChI=1S/C24H18O6/c1-2-27-24(26)22-19(18-13-12-16(28-18)14-8-4-3-5-9-14)20-21(30-22)15-10-6-7-11-17(15)29-23(20)25/h3-13,19,22H,2H2,1H3
• InChIKey: IGHZMHVUJAATKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-oxo-3-(5-phenylfuran-2-yl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 4-oxo-3-(5-phenylfuran-2-yl)-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164282496
• PubChem CID: 71753747

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2691984
• LogD (pH = 7.4): 3.2691984
• Log P: 3.2691984
• Molar Refractivity: 108.1916 cm^3
• Polarizability: 43.03201 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds