(2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 201625
• Molecular Formular: C27H22O4
• Molecular Mass: 410.46118
• Monoisotopic Mass: 410.15180918
• SMILES: c12c(O/C(=C\C=C\c3c(OC)cccc3)/C1=O)cc(OCc1ccc(C=C)cc1)cc2
• Canonical SMILES: COc1ccccc1/C=C/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C27H22O4/c1-3-19-11-13-20(14-12-19)18-30-22-15-16-23-26(17-22)31-25(27(23)28)10-6-8-21-7-4-5-9-24(21)29-2/h3-17H,1,18H2,2H3/b8-6+,25-10-
• InChIKey: NSKKRIYDIXJGFP-GCAKBVQNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164257535
• PubChem CID: 1760624

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.875323
• LogD (pH = 7.4): 5.875323
• Log P: 5.875323
• Molar Refractivity: 124.5902 cm^3
• Polarizability: 46.880783 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds