(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase ID: 200467
• Molecular Formular: C33H24O8
• Molecular Mass: 548.53886
• Monoisotopic Mass: 548.14711773
• SMILES: c1(c(oc2c1cc(cc2)OC)c1ccccc1)C(=O)Oc1cc2c(C(=O)/C(=C/c3c(cc(cc3)OC)OC)/O2)cc1
• Canonical SMILES: COc1ccc(c(c1)OC)/C=C/1\Oc2c(C1=O)ccc(c2)OC(=O)c1c(oc2c1cc(OC)cc2)c1ccccc1
• InChI: InChI=1S/C33H24O8/c1-36-21-12-14-26-25(16-21)30(32(41-26)19-7-5-4-6-8-19)33(35)39-23-11-13-24-28(18-23)40-29(31(24)34)15-20-9-10-22(37-2)17-27(20)38-3/h4-18H,1-3H3/b29-15-
• InChIKey: FFWGXDPQWBCUAL-FDVSRXAVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC Traditional name: (2Z)-2-[(2,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate

Database IDs

• PubChem SID: 164256377
• PubChem CID: 1757943

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 6.117046
• LogD (pH = 7.4): 6.117046
• Log P: 6.117046
• Molar Refractivity: 152.0936 cm^3
• Polarizability: 60.321896 Å^3
• Polar Surface Area: 93.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds