2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one

C15H12N2O4 — CID 142723020

IUPAC2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one
SMILESCC(=NO)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O4/c1-10(16-19)15(18)13-4-2-11(3-5-13)12-6-8-14(9-7-12)17(20)21/h2-9,19H,1H3
InChIKeyJWWJCCODVVKHSN-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.29
Rot. Bonds4

About 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one

2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one (PubChem CID 142723020) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one
PubChem CID142723020
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one
SMILESCC(=NO)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H12N2O4/c1-10(16-19)15(18)13-4-2-11(3-5-13)12-6-8-14(9-7-12)17(20)21/h2-9,19H,1H3
InChIKeyJWWJCCODVVKHSN-UHFFFAOYSA-N
XLogP3.29
TPSA92.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.29
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

[(Z)-[1-[4-(4-nitrophenyl)phenyl]-1-oxopropan-2-ylidene]amino] benzoate
CID 118054189
[(Z)-[1-[4-(4-nitrophenyl)phenyl]-1-oxopropan-2-ylidene]amino] 2-ethylbutanoate
CID 144839201
2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]heptan-1-one
CID 142732756
[(Z)-[1-[4-(4-nitrophenyl)phenyl]-1-oxopropan-2-ylidene]amino] pentanoate
CID 118054158
ethane;1-(4-nitrophenyl)ethanone
CID 172597016
2-hydroxyimino-2-(4-nitrophenyl)-1-phenylethanone
CID 86222058
(NZ)-N-[(4-methylphenyl)-(4-nitrophenyl)methylidene]hydroxylamine;phosphane
CID 172951383
2-hydroxyimino-1-(4-nitrophenyl)hexan-1-one
CID 174584946
4-nitro-N-(pentan-3-ylideneamino)benzamide
CID 4230759
1,4-dinitrobenzene;nitrous acid
CID 174371180
cesium;hydride;4-nitrobenzoic acid
CID 174438488
(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137126520

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one?
The IUPAC name of 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one (CID 142723020) is 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one.
What is the SMILES notation for 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one?
The canonical SMILES for 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one is CC(=NO)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one?
The InChIKey is JWWJCCODVVKHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-10(16-19)15(18)13-4-2-11(3-5-13)12-6-8-14(9-7-12)17(20)21/h2-9,19H,1H3.
What are the key properties of 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one?
2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one has a molecular weight of 284.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-[4-(4-nitrophenyl)phenyl]propan-1-one is sourced from PubChem (CID 142723020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).