5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one

C15H6Cl4O2 — CID 5085004

IUPAC5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H6Cl4O2/c16-8-2-1-7(11(18)5-8)3-13-14(20)10-4-9(17)6-12(19)15(10)21-13/h1-6H
InChIKeyAWBWELFHBWCXCB-UHFFFAOYSA-N
MW360.02 g/mol
LogP5.92
Rot. Bonds1

About 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one

5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 5085004) has the molecular formula C15H6Cl4O2 and a molecular weight of 360.02 g/mol. Its IUPAC name is 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
PubChem CID5085004
Molecular FormulaC15H6Cl4O2
Molecular Weight360.02 g/mol
Exact Mass357.91
IUPAC Name5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H6Cl4O2/c16-8-2-1-7(11(18)5-8)3-13-14(20)10-4-9(17)6-12(19)15(10)21-13/h1-6H
InChIKeyAWBWELFHBWCXCB-UHFFFAOYSA-N
XLogP5.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.02
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 901884
2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 943159
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-1,4-dioxan-2-one
CID 134105265
(2Z)-5-chloro-2-[(2-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 18823459
2-[(2,4-dichlorophenyl)methylidene]-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 5265273
methyl 2-[[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 3572622
(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6317826
[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate
CID 5264446
2-[[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetohydrazide
CID 4973657
ethyl 2-[[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 6316303
propan-2-yl 2-[[2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 5266582
(2Z)-7-bromo-2-[(2-chloro-4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 171642181

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one (CID 5085004) is 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one is O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is AWBWELFHBWCXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl4O2/c16-8-2-1-7(11(18)5-8)3-13-14(20)10-4-9(17)6-12(19)15(10)21-13/h1-6H.
What are the key properties of 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one?
5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 360.02 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 5085004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).