dimethyl-(4-nitrophenyl)-phenylphosphanium

C14H15NO2P+ — CID 140606508

IUPACdimethyl-(4-nitrophenyl)-phenylphosphanium
SMILESC[P+](C)(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15NO2P/c1-18(2,13-6-4-3-5-7-13)14-10-8-12(9-11-14)15(16)17/h3-11H,1-2H3/q+1
InChIKeyZPNDJHZSJYCZBP-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.82
Rot. Bonds3

About dimethyl-(4-nitrophenyl)-phenylphosphanium

dimethyl-(4-nitrophenyl)-phenylphosphanium (PubChem CID 140606508) has the molecular formula C14H15NO2P+ and a molecular weight of 260.25 g/mol. Its IUPAC name is dimethyl-(4-nitrophenyl)-phenylphosphanium.

Molecular Properties

Compound Namedimethyl-(4-nitrophenyl)-phenylphosphanium
PubChem CID140606508
Molecular FormulaC14H15NO2P+
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namedimethyl-(4-nitrophenyl)-phenylphosphanium
SMILESC[P+](C)(c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15NO2P/c1-18(2,13-6-4-3-5-7-13)14-10-8-12(9-11-14)15(16)17/h3-11H,1-2H3/q+1
InChIKeyZPNDJHZSJYCZBP-UHFFFAOYSA-N
XLogP2.82
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(4-nitrophenyl)-triphenylphosphanium chloride
CID 19371264
1-nitro-4-(1-phenylethyl)benzene
CID 11790935
calcium nitrobenzene
CID 67916702
azane;nitrobenzene
CID 23197461
benzene;iron;nitrobenzene
CID 174446919
arsane;nitrobenzene
CID 174282180
azanium nitrobenzene
CID 22989049
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
iron;methane;nitrobenzene
CID 175081715
iron(3+);nitrobenzene;trichloride
CID 70503336
magnesium;hydride;nitrobenzene
CID 173371093
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-nitrophenyl)-phenylphosphanium?
The IUPAC name of dimethyl-(4-nitrophenyl)-phenylphosphanium (CID 140606508) is dimethyl-(4-nitrophenyl)-phenylphosphanium.
What is the SMILES notation for dimethyl-(4-nitrophenyl)-phenylphosphanium?
The canonical SMILES for dimethyl-(4-nitrophenyl)-phenylphosphanium is C[P+](C)(c1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of dimethyl-(4-nitrophenyl)-phenylphosphanium?
The InChIKey is ZPNDJHZSJYCZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2P/c1-18(2,13-6-4-3-5-7-13)14-10-8-12(9-11-14)15(16)17/h3-11H,1-2H3/q+1.
What are the key properties of dimethyl-(4-nitrophenyl)-phenylphosphanium?
dimethyl-(4-nitrophenyl)-phenylphosphanium has a molecular weight of 260.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-nitrophenyl)-phenylphosphanium is sourced from PubChem (CID 140606508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).