(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate

• ChemBase ID: 200999
• Molecular Formular: C24H20O8
• Molecular Mass: 436.4108
• Monoisotopic Mass: 436.1158176
• SMILES: C\1(=C\c2oc(cc2)C)/C(=O)c2c(O1)cc(OC(=O)c1cc(c(c(c1)OC)OC)OC)cc2
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(o1)C)/C2=O
• InChI: InChI=1S/C24H20O8/c1-13-5-6-15(30-13)12-19-22(25)17-8-7-16(11-18(17)32-19)31-24(26)14-9-20(27-2)23(29-4)21(10-14)28-3/h5-12H,1-4H3/b19-12-
• InChIKey: WRELSDCZXXMCRK-UNOMPAQXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate
• IUPAC Traditional name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl 3,4,5-trimethoxybenzoate

Database IDs

• PubChem SID: 164256909
• PubChem CID: 1758763

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.6505039
• LogD (pH = 7.4): 3.6505039
• Log P: 3.6505039
• Molar Refractivity: 115.7794 cm^3
• Polarizability: 43.67299 Å^3
• Polar Surface Area: 93.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds