(3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one

C15H8ClNO4 — CID 15959079

IUPAC(3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)c2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C15H8ClNO4/c16-10-6-4-9(5-7-10)8-13-14-11(15(18)21-13)2-1-3-12(14)17(19)20/h1-8H/b13-8-
InChIKeyIXQGWTINZVQQNL-JYRVWZFOSA-N
MW301.69 g/mol
LogP3.92
Rot. Bonds2

About (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one

(3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one (PubChem CID 15959079) has the molecular formula C15H8ClNO4 and a molecular weight of 301.69 g/mol. Its IUPAC name is (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one
PubChem CID15959079
Molecular FormulaC15H8ClNO4
Molecular Weight301.69 g/mol
Exact Mass301.01
IUPAC Name(3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)c2c1cccc2[N+](=O)[O-]
InChIInChI=1S/C15H8ClNO4/c16-10-6-4-9(5-7-10)8-13-14-11(15(18)21-13)2-1-3-12(14)17(19)20/h1-8H/b13-8-
InChIKeyIXQGWTINZVQQNL-JYRVWZFOSA-N
XLogP3.92
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one (CID 15959079) is (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one is O=C1O/C(=C\c2ccc(Cl)cc2)c2c1cccc2[N+](=O)[O-].
What is the InChIKey of (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one?
The InChIKey is IXQGWTINZVQQNL-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H8ClNO4/c16-10-6-4-9(5-7-10)8-13-14-11(15(18)21-13)2-1-3-12(14)17(19)20/h1-8H/b13-8-.
What are the key properties of (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one?
(3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one has a molecular weight of 301.69 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-chlorophenyl)methylidene]-4-nitro-2-benzofuran-1-one is sourced from PubChem (CID 15959079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).