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

• ChemBase ID: 201701
• Molecular Formular: C24H16O4
• Molecular Mass: 368.38144
• Monoisotopic Mass: 368.10485899
• SMILES: c12c(O/C(=C\C=C\c3ccccc3)/C1=O)cc(OC(=O)c1ccccc1)cc2
• Canonical SMILES: O=C(c1ccccc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/C2=O
• InChI: InChI=1S/C24H16O4/c25-23-20-15-14-19(27-24(26)18-11-5-2-6-12-18)16-22(20)28-21(23)13-7-10-17-8-3-1-4-9-17/h1-16H/b10-7+,21-13-
• InChIKey: ZQEMDHRHIVJUIN-VIBAAIGISA-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 benzoate
• IUPAC Traditional name: (2Z)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-1-benzofuran-6-yl benzoate

Database IDs

• PubChem SID: 164257611
• PubChem CID: 1761420

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.3909254
• LogD (pH = 7.4): 5.3909254
• Log P: 5.3909254
• Molar Refractivity: 109.1678 cm^3
• Polarizability: 40.8723 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds