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

C22H14ClFO3 — CID 2019420

IUPAC(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H14ClFO3/c23-16-6-4-14(5-7-16)13-26-18-8-9-19-20(12-18)27-21(22(19)25)11-15-2-1-3-17(24)10-15/h1-12H,13H2/b21-11-
InChIKeyDWWOAGQZRRHBPO-NHDPSOOVSA-N
MW380.80 g/mol
LogP5.67
Rot. Bonds4

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

(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 2019420) has the molecular formula C22H14ClFO3 and a molecular weight of 380.80 g/mol. Its IUPAC name is (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
PubChem CID2019420
Molecular FormulaC22H14ClFO3
Molecular Weight380.80 g/mol
Exact Mass380.06
IUPAC Name(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H14ClFO3/c23-16-6-4-14(5-7-16)13-26-18-8-9-19-20(12-18)27-21(22(19)25)11-15-2-1-3-17(24)10-15/h1-12H,13H2/b21-11-
InChIKeyDWWOAGQZRRHBPO-NHDPSOOVSA-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-fluorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6220541
6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 5265733
(2E)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2022185
(2Z)-6-ethoxy-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 2015838
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 2005453
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 6316690
(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(4-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2021123
2-[[2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
CID 4975050
(2Z)-2-[(3-chlorophenyl)methylidene]-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6532552
benzyl 2-[[2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 3768846
2-[(3-chlorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4861152
2-[[(2Z)-2-[(3-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetamide
CID 6532601

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one (CID 2019420) is (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2cccc(F)c2)Oc2cc(OCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is DWWOAGQZRRHBPO-NHDPSOOVSA-N. The full InChI is InChI=1S/C22H14ClFO3/c23-16-6-4-14(5-7-16)13-26-18-8-9-19-20(12-18)27-21(22(19)25)11-15-2-1-3-17(24)10-15/h1-12H,13H2/b21-11-.
What are the key properties of (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one?
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-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 (2Z)-6-[(4-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 2019420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).