(N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid

C13H12NO4P — CID 171773792

IUPAC(N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid
SMILESO=P(O)(Oc1ccccc1)C(=NO)c1ccccc1
InChIInChI=1S/C13H12NO4P/c15-14-13(11-7-3-1-4-8-11)19(16,17)18-12-9-5-2-6-10-12/h1-10,15H,(H,16,17)
InChIKeyADMXXFYXEQGCLP-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.09
Rot. Bonds4

About (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid

(N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid (PubChem CID 171773792) has the molecular formula C13H12NO4P and a molecular weight of 277.22 g/mol. Its IUPAC name is (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid.

Molecular Properties

Compound Name(N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid
PubChem CID171773792
Molecular FormulaC13H12NO4P
Molecular Weight277.22 g/mol
Exact Mass277.05
IUPAC Name(N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid
SMILESO=P(O)(Oc1ccccc1)C(=NO)c1ccccc1
InChIInChI=1S/C13H12NO4P/c15-14-13(11-7-3-1-4-8-11)19(16,17)18-12-9-5-2-6-10-12/h1-10,15H,(H,16,17)
InChIKeyADMXXFYXEQGCLP-UHFFFAOYSA-N
XLogP3.09
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenyl hydrogen phosphate;dihydrate
CID 21115845
CID 131875092
CID 131875092
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
CID 169084705
cesium phenyl hydrogen phosphate
CID 175568082
hydroxy phenyl hydrogen phosphate
CID 19103302
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
diphenoxyphosphorylsilane;phosphane
CID 174958468
chloroform;diphenyl hydrogen phosphate
CID 174899919
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926

Frequently Asked Questions

What is the IUPAC name of (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid?
The IUPAC name of (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid (CID 171773792) is (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid.
What is the SMILES notation for (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid?
The canonical SMILES for (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid is O=P(O)(Oc1ccccc1)C(=NO)c1ccccc1.
What is the InChIKey of (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid?
The InChIKey is ADMXXFYXEQGCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12NO4P/c15-14-13(11-7-3-1-4-8-11)19(16,17)18-12-9-5-2-6-10-12/h1-10,15H,(H,16,17).
What are the key properties of (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid?
(N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid has a molecular weight of 277.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid is sourced from PubChem (CID 171773792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).