O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine

C9H11NO3 — CID 59010874

IUPACO-[1-(4-methylphenoxy)ethenoxy]hydroxylamine
SMILESC=C(OON)Oc1ccc(C)cc1
InChIInChI=1S/C9H11NO3/c1-7-3-5-9(6-4-7)11-8(2)12-13-10/h3-6H,2,10H2,1H3
InChIKeyLASMIXWOICJRQT-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.67
Rot. Bonds4

About O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine

O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine (PubChem CID 59010874) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine.

Molecular Properties

Compound NameO-[1-(4-methylphenoxy)ethenoxy]hydroxylamine
PubChem CID59010874
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameO-[1-(4-methylphenoxy)ethenoxy]hydroxylamine
SMILESC=C(OON)Oc1ccc(C)cc1
InChIInChI=1S/C9H11NO3/c1-7-3-5-9(6-4-7)11-8(2)12-13-10/h3-6H,2,10H2,1H3
InChIKeyLASMIXWOICJRQT-UHFFFAOYSA-N
XLogP1.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine?
The IUPAC name of O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine (CID 59010874) is O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine.
What is the SMILES notation for O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine?
The canonical SMILES for O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine is C=C(OON)Oc1ccc(C)cc1.
What is the InChIKey of O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine?
The InChIKey is LASMIXWOICJRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7-3-5-9(6-4-7)11-8(2)12-13-10/h3-6H,2,10H2,1H3.
What are the key properties of O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine?
O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine has a molecular weight of 181.19 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(4-methylphenoxy)ethenoxy]hydroxylamine is sourced from PubChem (CID 59010874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).