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

C22H14ClFO3 — CID 5265733

IUPAC6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H14ClFO3/c23-16-5-1-15(2-6-16)13-26-18-9-10-19-20(12-18)27-21(22(19)25)11-14-3-7-17(24)8-4-14/h1-12H,13H2
InChIKeyKVWORGHXQJOKLZ-UHFFFAOYSA-N
MW380.80 g/mol
LogP5.67
Rot. Bonds4

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

6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 5265733) has the molecular formula C22H14ClFO3 and a molecular weight of 380.80 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
PubChem CID5265733
Molecular FormulaC22H14ClFO3
Molecular Weight380.80 g/mol
Exact Mass380.06
IUPAC Name6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H14ClFO3/c23-16-5-1-15(2-6-16)13-26-18-9-10-19-20(12-18)27-21(22(19)25)11-14-3-7-17(24)8-4-14/h1-12H,13H2
InChIKeyKVWORGHXQJOKLZ-UHFFFAOYSA-N
XLogP5.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.80
LogP ≤ 55.67
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

(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 2005453
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2019420
(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(4-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2021123
(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 6520363
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[[4-(diethylamino)phenyl]methylidene]-1-benzofuran-3-one
CID 95022154
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 6316690
methyl 4-[[6-[(4-fluorophenyl)methoxy]-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
CID 5265976
6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
CID 4522752
2-[(4-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265807
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2007737

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one (CID 5265733) is 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one is O=C1C(=Cc2ccc(F)cc2)Oc2cc(OCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is KVWORGHXQJOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFO3/c23-16-5-1-15(2-6-16)13-26-18-9-10-19-20(12-18)27-21(22(19)25)11-14-3-7-17(24)8-4-14/h1-12H,13H2.
What are the key properties of 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one?
6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 380.80 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 5265733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).