2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone

C14H10N2O4 — CID 86222058

IUPAC2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
SMILESO=C(C(=NO)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H10N2O4/c17-14(11-4-2-1-3-5-11)13(15-18)10-6-8-12(9-7-10)16(19)20/h1-9,18H
InChIKeyTWFBUHKLTKZWMZ-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.66
Rot. Bonds4

About 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone

2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone (PubChem CID 86222058) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone.

Molecular Properties

Compound Name2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
PubChem CID86222058
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
SMILESO=C(C(=NO)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C14H10N2O4/c17-14(11-4-2-1-3-5-11)13(15-18)10-6-8-12(9-7-10)16(19)20/h1-9,18H
InChIKeyTWFBUHKLTKZWMZ-UHFFFAOYSA-N
XLogP2.66
TPSA92.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-hydrazinylidene-2-(4-nitrophenyl)-1-phenylethanone
CID 27138490
(2Z)-2-(4-chlorophenyl)-2-hydroxyimino-1-phenylethanone
CID 6415852
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137126520
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
methanediimine;bis((4-nitrophenyl)-phenylmethanone)
CID 174915149
(NZ)-N-[(3Z)-1,1,1-trifluoro-3-hydroxyimino-3-(4-nitrophenyl)propan-2-ylidene]hydroxylamine
CID 135501929
2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one
CID 142723020
(2Z)-2-[(Z)-(2-hydroxy-5-nitrophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
CID 135775343
carbonic acid;nitrobenzene
CID 158100196

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone?
The IUPAC name of 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone (CID 86222058) is 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone.
What is the SMILES notation for 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone?
The canonical SMILES for 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone is O=C(C(=NO)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone?
The InChIKey is TWFBUHKLTKZWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-14(11-4-2-1-3-5-11)13(15-18)10-6-8-12(9-7-10)16(19)20/h1-9,18H.
What are the key properties of 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone?
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone has a molecular weight of 270.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone is sourced from PubChem (CID 86222058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).