(2Z)-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 219448
• Molecular Formular: C26H20O3
• Molecular Mass: 380.4352
• Monoisotopic Mass: 380.1412445
• SMILES: c12c(O/C(=C\C=C\c3ccccc3)/C1=O)cc(cc2)OC/C=C/c1ccccc1
• Canonical SMILES: O=C1/C(=C/C=C/c2ccccc2)/Oc2c1ccc(c2)OC/C=C/c1ccccc1
• InChI: InChI=1S/C26H20O3/c27-26-23-17-16-22(28-18-8-14-21-11-5-2-6-12-21)19-25(23)29-24(26)15-7-13-20-9-3-1-4-10-20/h1-17,19H,18H2/b13-7+,14-8+,24-15-
• InChIKey: XVNKBCYGGXNMLG-RTNGXHSKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-{[(2E)-3-phenylprop-2-en-1-yl]oxy}-2-[(2E)-3-phenylprop-2-en-1-ylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164275358
• PubChem CID: 16409353

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.9062076
• LogD (pH = 7.4): 5.9062076
• Log P: 5.9062076
• Molar Refractivity: 118.7593 cm^3
• Polarizability: 44.39528 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds