(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one

C15H9NO5 — CID 24506556

IUPAC(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc21
InChIInChI=1S/C15H9NO5/c17-10-5-6-11-13(8-10)21-14(15(11)18)7-9-3-1-2-4-12(9)16(19)20/h1-8,17H/b14-7+
InChIKeyGLDLVOXOEQZCST-VGOFMYFVSA-N
MW283.24 g/mol
LogP2.92
Rot. Bonds2

About (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one

(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 24506556) has the molecular formula C15H9NO5 and a molecular weight of 283.24 g/mol. Its IUPAC name is (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one
PubChem CID24506556
Molecular FormulaC15H9NO5
Molecular Weight283.24 g/mol
Exact Mass283.05
IUPAC Name(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc21
InChIInChI=1S/C15H9NO5/c17-10-5-6-11-13(8-10)21-14(15(11)18)7-9-3-1-2-4-12(9)16(19)20/h1-8,17H/b14-7+
InChIKeyGLDLVOXOEQZCST-VGOFMYFVSA-N
XLogP2.92
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 4523806
6-hydroxy-2-[(4-hydroxynaphthalen-1-yl)methylidene]-1-benzofuran-3-one
CID 175976907
methyl (2Z)-2-[(2-nitrophenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate
CID 18823738
4-[(Z)-(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxy-6-nitrophenolate
CID 11984826
6-hydroxy-2-[(5-nitro-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
CID 71278728
(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione
CID 177418726
2-[(2,4-dichlorophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 943159
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 941626
(2E)-2-(furan-2-ylmethylidene)-6-hydroxy-1-benzofuran-3-one
CID 908039
(2Z)-2-[(2-aminopyrimidin-5-yl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 163286903
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
(3E)-3-[(5-hydroxy-2-nitrophenyl)methylidene]-6-methoxy-2-benzofuran-1-one
CID 11558678

Frequently Asked Questions

What is the IUPAC name of (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one (CID 24506556) is (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C\c2ccccc2[N+](=O)[O-])Oc2cc(O)ccc21.
What is the InChIKey of (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is GLDLVOXOEQZCST-VGOFMYFVSA-N. The full InChI is InChI=1S/C15H9NO5/c17-10-5-6-11-13(8-10)21-14(15(11)18)7-9-3-1-2-4-12(9)16(19)20/h1-8,17H/b14-7+.
What are the key properties of (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one?
(2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 283.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-hydroxy-2-[(2-nitrophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 24506556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).