O-phenoxyhydroxylamine

C6H7NO2 — CID 20645120

IUPACO-phenoxyhydroxylamine
SMILESNOOc1ccccc1
InChIInChI=1S/C6H7NO2/c7-9-8-6-4-2-1-3-5-6/h1-5H,7H2
InChIKeyMBIAWHOIBCGOTR-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.87
Rot. Bonds2

About O-phenoxyhydroxylamine

O-phenoxyhydroxylamine (PubChem CID 20645120) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is O-phenoxyhydroxylamine.

Molecular Properties

Compound NameO-phenoxyhydroxylamine
PubChem CID20645120
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC NameO-phenoxyhydroxylamine
SMILESNOOc1ccccc1
InChIInChI=1S/C6H7NO2/c7-9-8-6-4-2-1-3-5-6/h1-5H,7H2
InChIKeyMBIAWHOIBCGOTR-UHFFFAOYSA-N
XLogP0.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-phenoxyhydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

azane;phenylperoxybenzene
CID 174490395
potassium;hydride;phenylperoxybenzene
CID 174274599
O-phenylhydroxylamine;zinc
CID 175464016
O-phenylhydroxylamine;zirconium
CID 174144426
N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047
phenylperoxymethanamine
CID 163956445
S-phenylperoxythiohydroxylamine
CID 58723108
phenoxy hypochlorite
CID 18939078
phenyl hypochlorite;titanium
CID 87675742
phenoxy hypofluorite;hydrochloride
CID 161041711
amino phenoxy hydrogen phosphite;dihydrochloride
CID 175334218
diaminophosphorylperoxybenzene
CID 172833248

Frequently Asked Questions

What is the IUPAC name of O-phenoxyhydroxylamine?
The IUPAC name of O-phenoxyhydroxylamine (CID 20645120) is O-phenoxyhydroxylamine.
What is the SMILES notation for O-phenoxyhydroxylamine?
The canonical SMILES for O-phenoxyhydroxylamine is NOOc1ccccc1.
What is the InChIKey of O-phenoxyhydroxylamine?
The InChIKey is MBIAWHOIBCGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c7-9-8-6-4-2-1-3-5-6/h1-5H,7H2.
What are the key properties of O-phenoxyhydroxylamine?
O-phenoxyhydroxylamine has a molecular weight of 125.13 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-phenoxyhydroxylamine is sourced from PubChem (CID 20645120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).