ethyl 7-methoxy-3-[5-(methoxycarbonyl)furan-2-yl]-4-oxo-4H-chromene-2-carboxylate

• ChemBase ID: 182034
• Molecular Formular: C19H16O8
• Molecular Mass: 372.32554
• Monoisotopic Mass: 372.08451747
• SMILES: c1(c(oc2c(c1=O)ccc(c2)OC)C(=O)OCC)c1oc(cc1)C(=O)OC
• Canonical SMILES: CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1c1ccc(o1)C(=O)OC
• InChI: InChI=1S/C19H16O8/c1-4-25-19(22)17-15(12-7-8-13(26-12)18(21)24-3)16(20)11-6-5-10(23-2)9-14(11)27-17/h5-9H,4H2,1-3H3
• InChIKey: ULQWIQUHYNFELB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-methoxy-3-[5-(methoxycarbonyl)furan-2-yl]-4-oxo-4H-chromene-2-carboxylate
• IUPAC Traditional name: ethyl 7-methoxy-3-[5-(methoxycarbonyl)furan-2-yl]-4-oxochromene-2-carboxylate

Database IDs

• PubChem SID: 164237944
• PubChem CID: 3419317

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5272837
• LogD (pH = 7.4): 2.5272837
• Log P: 2.5272837
• Molar Refractivity: 93.3201 cm^3
• Polarizability: 35.507824 Å^3
• Polar Surface Area: 101.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds