2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one

C15H8Cl2O3 — CID 943159

IUPAC2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc21
InChIInChI=1S/C15H8Cl2O3/c16-9-2-1-8(12(17)6-9)5-14-15(19)11-4-3-10(18)7-13(11)20-14/h1-7,18H
InChIKeyBEWJBEULVJXHNS-UHFFFAOYSA-N
MW307.13 g/mol
LogP4.32
Rot. Bonds1

About 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one

2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one (PubChem CID 943159) has the molecular formula C15H8Cl2O3 and a molecular weight of 307.13 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
PubChem CID943159
Molecular FormulaC15H8Cl2O3
Molecular Weight307.13 g/mol
Exact Mass305.99
IUPAC Name2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc21
InChIInChI=1S/C15H8Cl2O3/c16-9-2-1-8(12(17)6-9)5-14-15(19)11-4-3-10(18)7-13(11)20-14/h1-7,18H
InChIKeyBEWJBEULVJXHNS-UHFFFAOYSA-N
XLogP4.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dichlorophenyl)methylidene]-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 5265273
6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
CID 175976907
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
5,7-dichloro-2-[(2,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
CID 5085004
[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
2-[(2,4-dichlorophenyl)methylidene]-6-[2-(4-fluorophenyl)-2-oxoethoxy]-1-benzofuran-3-one
CID 5266176
[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate
CID 6316010
[(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] oxolane-2-carboxylate
CID 110274916

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one (CID 943159) is 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one is O=C1C(=Cc2ccc(Cl)cc2Cl)Oc2cc(O)ccc21.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
The InChIKey is BEWJBEULVJXHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O3/c16-9-2-1-8(12(17)6-9)5-14-15(19)11-4-3-10(18)7-13(11)20-14/h1-7,18H.
What are the key properties of 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one?
2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one has a molecular weight of 307.13 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one is sourced from PubChem (CID 943159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).