(2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase ID: 199712
• Molecular Formular: C23H18O4
• Molecular Mass: 358.38662
• Monoisotopic Mass: 358.12050906
• SMILES: C\1(=C\c2oc(cc2)C)/C(=O)c2c(O1)cc(OCc1ccc(C=C)cc1)cc2
• Canonical SMILES: C=Cc1ccc(cc1)COc1ccc2c(c1)O/C(=C\c1ccc(o1)C)/C2=O
• InChI: InChI=1S/C23H18O4/c1-3-16-5-7-17(8-6-16)14-25-18-10-11-20-21(12-18)27-22(23(20)24)13-19-9-4-15(2)26-19/h3-13H,1,14H2,2H3/b22-13-
• InChIKey: VCDATWNYLHWMLQ-XKZIYDEJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(5-methylfuran-2-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC Traditional name: (2Z)-6-[(4-ethenylphenyl)methoxy]-2-[(5-methylfuran-2-yl)methylidene]-1-benzofuran-3-one

Database IDs

• PubChem SID: 164255622
• PubChem CID: 1755979

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7655864
• LogD (pH = 7.4): 4.7655864
• Log P: 4.7655864
• Molar Refractivity: 105.349 cm^3
• Polarizability: 39.524803 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds