(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one

C21H16N2O4 — CID 7158722

IUPAC(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1[N+](=O)[O-])[C@@H](C(=NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-21(17-13-7-8-14-18(17)23(26)27)19(15-9-3-1-4-10-15)20(22-25)16-11-5-2-6-12-16/h1-14,19,25H/t19-/m1/s1
InChIKeyWRDPBRUEAMOWFT-LJQANCHMSA-N
MW360.37 g/mol
LogP4.44
Rot. Bonds6

About (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one

(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one (PubChem CID 7158722) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one
PubChem CID7158722
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one
SMILESO=C(c1ccccc1[N+](=O)[O-])[C@@H](C(=NO)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-21(17-13-7-8-14-18(17)23(26)27)19(15-9-3-1-4-10-15)20(22-25)16-11-5-2-6-12-16/h1-14,19,25H/t19-/m1/s1
InChIKeyWRDPBRUEAMOWFT-LJQANCHMSA-N
XLogP4.44
TPSA92.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
(2-nitrophenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 174458714
benzene;2-nitrobenzoic acid
CID 19891435
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
2-(2-nitrobenzoyl)propanedinitrile
CID 71441241
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
CID 174848251
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one?
The IUPAC name of (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one (CID 7158722) is (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one.
What is the SMILES notation for (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one?
The canonical SMILES for (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one is O=C(c1ccccc1[N+](=O)[O-])[C@@H](C(=NO)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one?
The InChIKey is WRDPBRUEAMOWFT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-21(17-13-7-8-14-18(17)23(26)27)19(15-9-3-1-4-10-15)20(22-25)16-11-5-2-6-12-16/h1-14,19,25H/t19-/m1/s1.
What are the key properties of (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one?
(2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one has a molecular weight of 360.37 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxyimino-1-(2-nitrophenyl)-2,3-diphenylpropan-1-one is sourced from PubChem (CID 7158722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).