(2-nitrophenoxy)-oxo-phenacyloxyphosphanium

C14H11NO6P+ — CID 19102528

IUPAC(2-nitrophenoxy)-oxo-phenacyloxyphosphanium
SMILESO=C(CO[P+](=O)Oc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO6P/c16-13(11-6-2-1-3-7-11)10-20-22(19)21-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2/q+1
InChIKeyQPNPCLIFCBLDNV-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.53
Rot. Bonds7

About (2-nitrophenoxy)-oxo-phenacyloxyphosphanium

(2-nitrophenoxy)-oxo-phenacyloxyphosphanium (PubChem CID 19102528) has the molecular formula C14H11NO6P+ and a molecular weight of 320.22 g/mol. Its IUPAC name is (2-nitrophenoxy)-oxo-phenacyloxyphosphanium.

Molecular Properties

Compound Name(2-nitrophenoxy)-oxo-phenacyloxyphosphanium
PubChem CID19102528
Molecular FormulaC14H11NO6P+
Molecular Weight320.22 g/mol
Exact Mass320.03
IUPAC Name(2-nitrophenoxy)-oxo-phenacyloxyphosphanium
SMILESO=C(CO[P+](=O)Oc1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H11NO6P/c16-13(11-6-2-1-3-7-11)10-20-22(19)21-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2/q+1
InChIKeyQPNPCLIFCBLDNV-UHFFFAOYSA-N
XLogP3.53
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-nitrophenoxy)-1-phenylethanone
CID 67247662
1-(3-bromophenyl)-2-(2-nitrophenoxy)ethanone
CID 7503868
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
2-(2,4-dinitro-5-phenacylphenyl)-1-phenylethanone
CID 2748910
triphenylstannyl 2-(2-nitrophenoxy)acetate
CID 16706573
phenacyl (E)-3-(2-nitrophenyl)prop-2-enoate
CID 2346607
1-(4-butan-2-ylphenyl)-2-(2-nitrophenoxy)ethanone
CID 55318642
(2-nitrophenyl) N-phenylbenzenecarboximidate
CID 21233958
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
2-(3-chloro-4-nitrophenoxy)-1-phenylethanone
CID 47443115
2-(3-methoxy-4-nitrophenyl)-1-phenylethanone
CID 63676279
phenacyl 2-(2-nitrophenyl)sulfonylbenzoate
CID 126188315

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenoxy)-oxo-phenacyloxyphosphanium?
The IUPAC name of (2-nitrophenoxy)-oxo-phenacyloxyphosphanium (CID 19102528) is (2-nitrophenoxy)-oxo-phenacyloxyphosphanium.
What is the SMILES notation for (2-nitrophenoxy)-oxo-phenacyloxyphosphanium?
The canonical SMILES for (2-nitrophenoxy)-oxo-phenacyloxyphosphanium is O=C(CO[P+](=O)Oc1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (2-nitrophenoxy)-oxo-phenacyloxyphosphanium?
The InChIKey is QPNPCLIFCBLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6P/c16-13(11-6-2-1-3-7-11)10-20-22(19)21-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2/q+1.
What are the key properties of (2-nitrophenoxy)-oxo-phenacyloxyphosphanium?
(2-nitrophenoxy)-oxo-phenacyloxyphosphanium has a molecular weight of 320.22 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenoxy)-oxo-phenacyloxyphosphanium is sourced from PubChem (CID 19102528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).