(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one

C28H19FO3 — CID 6520363

IUPAC(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(F)cc3)ccc21
InChIInChI=1S/C28H19FO3/c29-23-12-8-20(9-13-23)18-31-24-14-15-25-26(17-24)32-27(28(25)30)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-17H,18H2/b27-16-
InChIKeyJUOIOUIVYCFMOZ-YUMHPJSZSA-N
MW422.46 g/mol
LogP6.69
Rot. Bonds5

About (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one

(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 6520363) has the molecular formula C28H19FO3 and a molecular weight of 422.46 g/mol. Its IUPAC name is (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
PubChem CID6520363
Molecular FormulaC28H19FO3
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC Name(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(F)cc3)ccc21
InChIInChI=1S/C28H19FO3/c29-23-12-8-20(9-13-23)18-31-24-14-15-25-26(17-24)32-27(28(25)30)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-17H,18H2/b27-16-
InChIKeyJUOIOUIVYCFMOZ-YUMHPJSZSA-N
XLogP6.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3974809
6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 5265733
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2007737
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 2005453
methyl 4-[[6-[(4-fluorophenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
CID 5265976
6-[(2-chlorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3538773
6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
CID 4522752
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193
2-[[3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl]oxy]acetonitrile
CID 4861206
[2-[(4-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylate
CID 5265100
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2019420
(2Z)-2-[(3-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6220541

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one (CID 6520363) is (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OCc3ccc(F)cc3)ccc21.
What is the InChIKey of (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is JUOIOUIVYCFMOZ-YUMHPJSZSA-N. The full InChI is InChI=1S/C28H19FO3/c29-23-12-8-20(9-13-23)18-31-24-14-15-25-26(17-24)32-27(28(25)30)16-19-6-10-22(11-7-19)21-4-2-1-3-5-21/h1-17H,18H2/b27-16-.
What are the key properties of (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 422.46 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 6520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).