(2Z)-6-methoxy-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 198797
• Molecular Formular: C18H14O3
• Molecular Mass: 278.30196
• Monoisotopic Mass: 278.09429431
• SMILES: c12c(O/C(=C\C=C\c3ccccc3)/C1=O)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)/C2=O
• InChI: InChI=1S/C18H14O3/c1-20-14-10-11-15-17(12-14)21-16(18(15)19)9-5-8-13-6-3-2-4-7-13/h2-12H,1H3/b8-5+,16-9-
• InChIKey: BWHIHMKJHBQZHT-FJGPGAONSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254707
• PubChem CID: 1802767

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5718188
• LogD (pH = 7.4): 3.5718188
• Log P: 3.5718188
• Molar Refractivity: 83.8281 cm^3
• Polarizability: 31.239784 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds