(2Z)-2-(2H-1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate

• ChemBase ID: 209340
• Molecular Formular: C24H14O8
• Molecular Mass: 430.36316
• Monoisotopic Mass: 430.06886741
• SMILES: C\1(=C\c2cc3c(OCO3)cc2)/C(=O)c2c(O1)cc(OC(=O)c1cc3c(OCO3)cc1)cc2
• Canonical SMILES: O=C1/C(=C/c2ccc3c(c2)OCO3)/Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C24H14O8/c25-23-16-4-3-15(31-24(26)14-2-6-18-21(9-14)30-12-28-18)10-19(16)32-22(23)8-13-1-5-17-20(7-13)29-11-27-17/h1-10H,11-12H2/b22-8-
• InChIKey: GOEYBOXQMRNKKW-UYOCIXKTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-(2H-1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate
• IUPAC Traditional name: (2Z)-2-(2H-1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl 2H-1,3-benzodioxole-5-carboxylate

Database IDs

• PubChem SID: 164265250
• PubChem CID: 1786279

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.1101766
• LogD (pH = 7.4): 4.1101766
• Log P: 4.1101766
• Molar Refractivity: 110.383 cm^3
• Polarizability: 42.411846 Å^3
• Polar Surface Area: 89.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds