4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide

C10H16NO6P — CID 163180334

IUPAC4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide
SMILESCCOP(=O)(OCC)Oc1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C10H16NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8,11-12H,3-4H2,1-2H3
InChIKeyYWEKOLMNLCZPFU-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.65
Rot. Bonds7

About 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide

4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide (PubChem CID 163180334) has the molecular formula C10H16NO6P and a molecular weight of 277.21 g/mol. Its IUPAC name is 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide.

Molecular Properties

Compound Name4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide
PubChem CID163180334
Molecular FormulaC10H16NO6P
Molecular Weight277.21 g/mol
Exact Mass277.07
IUPAC Name4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide
SMILESCCOP(=O)(OCC)Oc1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C10H16NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8,11-12H,3-4H2,1-2H3
InChIKeyYWEKOLMNLCZPFU-UHFFFAOYSA-N
XLogP1.65
TPSA92.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide?
The IUPAC name of 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide (CID 163180334) is 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide.
What is the SMILES notation for 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide?
The canonical SMILES for 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide is CCOP(=O)(OCC)Oc1ccc([NH+]([O-])O)cc1.
What is the InChIKey of 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide?
The InChIKey is YWEKOLMNLCZPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8,11-12H,3-4H2,1-2H3.
What are the key properties of 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide?
4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide has a molecular weight of 277.21 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryloxy-N-hydroxybenzeneamine oxide is sourced from PubChem (CID 163180334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).