(2-nitrophenyl)-propylphosphinic acid

C9H12NO4P — CID 126564276

IUPAC(2-nitrophenyl)-propylphosphinic acid
SMILESCCCP(=O)(O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12NO4P/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyAWRXGJVNFOLGQD-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.90
Rot. Bonds4

About (2-nitrophenyl)-propylphosphinic acid

(2-nitrophenyl)-propylphosphinic acid (PubChem CID 126564276) has the molecular formula C9H12NO4P and a molecular weight of 229.17 g/mol. Its IUPAC name is (2-nitrophenyl)-propylphosphinic acid.

Molecular Properties

Compound Name(2-nitrophenyl)-propylphosphinic acid
PubChem CID126564276
Molecular FormulaC9H12NO4P
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name(2-nitrophenyl)-propylphosphinic acid
SMILESCCCP(=O)(O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12NO4P/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyAWRXGJVNFOLGQD-UHFFFAOYSA-N
XLogP1.90
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[butyl(methoxy)phosphoryl]-2-nitrobenzene
CID 117059286
1-[methoxy(methyl)phosphoryl]-2-nitrobenzene
CID 126564149
1-[ethoxy-(2-nitrophenoxy)phosphoryl]-2-ethylbenzene
CID 71386557
methanol;2-nitrophenol
CID 157303764
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
2-[(2-nitrobenzoyl)-propylamino]acetic acid
CID 61012063
butyl-(2-butyl-3-nitrophenoxy)phosphinic acid
CID 54481294
1-(2-nitrophenyl)-3-propylurea
CID 31682023
(S)-diethoxyphosphoryl-(2-nitrophenyl)methanol
CID 2313635
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
(1R)-1-(2-nitrophenyl)pentan-1-ol
CID 129395875
2-diphenylphosphoryl-6-nitrophenol
CID 3678150

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-propylphosphinic acid?
The IUPAC name of (2-nitrophenyl)-propylphosphinic acid (CID 126564276) is (2-nitrophenyl)-propylphosphinic acid.
What is the SMILES notation for (2-nitrophenyl)-propylphosphinic acid?
The canonical SMILES for (2-nitrophenyl)-propylphosphinic acid is CCCP(=O)(O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl)-propylphosphinic acid?
The InChIKey is AWRXGJVNFOLGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO4P/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of (2-nitrophenyl)-propylphosphinic acid?
(2-nitrophenyl)-propylphosphinic acid has a molecular weight of 229.17 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-propylphosphinic acid is sourced from PubChem (CID 126564276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).