ethyl 7-(2-ethoxy-2-oxoethoxy)-3-[2-(ethoxycarbonyl)-1-benzofuran-5-yl]-4-oxo-4H-chromene-2-carboxylate

• ChemBase ID: 184959
• Molecular Formular: C27H24O10
• Molecular Mass: 508.47346
• Monoisotopic Mass: 508.13694697
• SMILES: c1(c(oc2c(c1=O)ccc(c2)OCC(=O)OCC)C(=O)OCC)c1cc2cc(oc2cc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)cc(o2)C(=O)OCC)C(=O)OCC
• InChI: InChI=1S/C27H24O10/c1-4-32-22(28)14-35-17-8-9-18-20(13-17)37-25(27(31)34-6-3)23(24(18)29)15-7-10-19-16(11-15)12-21(36-19)26(30)33-5-2/h7-13H,4-6,14H2,1-3H3
• InChIKey: JSGLDJUODVLDIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-(2-ethoxy-2-oxoethoxy)-3-[2-(ethoxycarbonyl)-1-benzofuran-5-yl]-4-oxo-4H-chromene-2-carboxylate
• IUPAC Traditional name: ethyl 7-(2-ethoxy-2-oxoethoxy)-3-[2-(ethoxycarbonyl)-1-benzofuran-5-yl]-4-oxochromene-2-carboxylate

Database IDs

• PubChem SID: 164240869
• PubChem CID: 1548045

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.9636538
• LogD (pH = 7.4): 3.9636538
• Log P: 3.9636538
• Molar Refractivity: 130.1212 cm^3
• Polarizability: 51.082672 Å^3
• Polar Surface Area: 127.57 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds