2-nitropropan-2-yl(phenyl)phosphinic acid

C9H12NO4P — CID 71392637

IUPAC2-nitropropan-2-yl(phenyl)phosphinic acid
SMILESCC(C)([N+](=O)[O-])P(=O)(O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-9(2,10(11)12)15(13,14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14)
InChIKeyHSNVPHSVXNTZNY-UHFFFAOYSA-N
MW229.17 g/mol
LogP1.60
Rot. Bonds3

About 2-nitropropan-2-yl(phenyl)phosphinic acid

2-nitropropan-2-yl(phenyl)phosphinic acid (PubChem CID 71392637) has the molecular formula C9H12NO4P and a molecular weight of 229.17 g/mol. Its IUPAC name is 2-nitropropan-2-yl(phenyl)phosphinic acid.

Molecular Properties

Compound Name2-nitropropan-2-yl(phenyl)phosphinic acid
PubChem CID71392637
Molecular FormulaC9H12NO4P
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name2-nitropropan-2-yl(phenyl)phosphinic acid
SMILESCC(C)([N+](=O)[O-])P(=O)(O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-9(2,10(11)12)15(13,14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14)
InChIKeyHSNVPHSVXNTZNY-UHFFFAOYSA-N
XLogP1.60
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 51.60
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

phenyl(2-sulfanylpropan-2-yl)phosphinic acid
CID 785432
butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
CID 87905295
methyl(phenyl)phosphinic acid;zinc
CID 66618039
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;phosphane
CID 157219344
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
2,2-dimethylpropoxy(phenyl)phosphinic acid
CID 54533084
phenylphosphonamidic acid
CID 18388605

Frequently Asked Questions

What is the IUPAC name of 2-nitropropan-2-yl(phenyl)phosphinic acid?
The IUPAC name of 2-nitropropan-2-yl(phenyl)phosphinic acid (CID 71392637) is 2-nitropropan-2-yl(phenyl)phosphinic acid.
What is the SMILES notation for 2-nitropropan-2-yl(phenyl)phosphinic acid?
The canonical SMILES for 2-nitropropan-2-yl(phenyl)phosphinic acid is CC(C)([N+](=O)[O-])P(=O)(O)c1ccccc1.
What is the InChIKey of 2-nitropropan-2-yl(phenyl)phosphinic acid?
The InChIKey is HSNVPHSVXNTZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO4P/c1-9(2,10(11)12)15(13,14)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of 2-nitropropan-2-yl(phenyl)phosphinic acid?
2-nitropropan-2-yl(phenyl)phosphinic acid has a molecular weight of 229.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitropropan-2-yl(phenyl)phosphinic acid is sourced from PubChem (CID 71392637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).