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

• ChemBase ID: 226471
• Molecular Formular: C18H14O6
• Molecular Mass: 326.30016
• Monoisotopic Mass: 326.07903817
• SMILES: c12c(OC(C1c1occc1)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccco1)c(=O)oc1c2cccc1
• InChI: InChI=1S/C18H14O6/c1-2-21-18(20)16-13(12-8-5-9-22-12)14-15(24-16)10-6-3-4-7-11(10)23-17(14)19/h3-9,13,16H,2H2,1H3
• InChIKey: BNBVBVOHMOHNFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282381
• PubChem CID: 71753636

CALCULATED PROPERTIES

• Log P: 1.701972
• Molar Refractivity: 83.1779 cm^3
• Polarizability: 32.146732 Å^3
• Polar Surface Area: 74.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.701972
• LogD (pH = 7.4): 1.701972

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds