ethyl 3-[4-methoxy-3-(propan-2-yloxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 226828
• Molecular Formular: C24H24O7
• Molecular Mass: 424.44316
• Monoisotopic Mass: 424.15220311
• SMILES: c12c(OC(C2c2cc(OC(C)C)c(cc2)OC)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(c(c1)OC(C)C)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C24H24O7/c1-5-28-24(26)22-19(14-10-11-17(27-4)18(12-14)29-13(2)3)20-21(31-22)15-8-6-7-9-16(15)30-23(20)25/h6-13,19,22H,5H2,1-4H3
• InChIKey: HUWHNADLAAHEJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-[4-methoxy-3-(propan-2-yloxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 3-(3-isopropoxy-4-methoxyphenyl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164282738
• PubChem CID: 71753978

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.2141166
• LogD (pH = 7.4): 3.2141166
• Log P: 3.2141166
• Molar Refractivity: 112.8256 cm^3
• Polarizability: 43.96609 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds