(2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

• ChemBase ID: 201550
• Molecular Formular: C26H18O4
• Molecular Mass: 394.41872
• Monoisotopic Mass: 394.12050906
• SMILES: c12c(O/C(=C\C=C\c3ccccc3)/C1=O)cc(OC(=O)/C=C/c1ccccc1)cc2
• Canonical SMILES: O=C(Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/C2=O)/C=C/c1ccccc1
• InChI: InChI=1S/C26H18O4/c27-25(17-14-20-10-5-2-6-11-20)29-21-15-16-22-24(18-21)30-23(26(22)28)13-7-12-19-8-3-1-4-9-19/h1-18H/b12-7+,17-14+,23-13-
• InChIKey: QWBCODFVSNRSGO-RIFQWCRFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate
• IUPAC Traditional name: (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-1-benzofuran-6-yl (2E)-3-phenylprop-2-enoate

Database IDs

• PubChem SID: 164257460
• PubChem CID: 5573649

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9295163
• LogD (pH = 7.4): 5.9295163
• Log P: 5.9295163
• Molar Refractivity: 118.9135 cm^3
• Polarizability: 44.4263 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds