(2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 198879
• Molecular Formular: C25H20O4
• Molecular Mass: 384.4239
• Monoisotopic Mass: 384.13615912
• SMILES: C\1(=C\c2ccc(cc2)OC)/C(=O)c2c(O1)cc(OCc1ccc(C=C)cc1)cc2
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C25H20O4/c1-3-17-4-6-19(7-5-17)16-28-21-12-13-22-23(15-21)29-24(25(22)26)14-18-8-10-20(27-2)11-9-18/h3-15H,1,16H2,2H3/b24-14-
• InChIKey: QTVAEVHRCCYMMY-OYKKKHCWSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254789
• PubChem CID: 1803048

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.348107
• LogD (pH = 7.4): 5.348107
• Log P: 5.348107
• Molar Refractivity: 114.2716 cm^3
• Polarizability: 43.42201 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds