O-(4-pentan-3-yloxyphenyl)hydroxylamine

C11H17NO2 — CID 163751792

IUPACO-(4-pentan-3-yloxyphenyl)hydroxylamine
SMILESCCC(CC)Oc1ccc(ON)cc1
InChIInChI=1S/C11H17NO2/c1-3-9(4-2)13-10-5-7-11(14-12)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKeyLQPIDZBCIXQWQF-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.51
Rot. Bonds5

About O-(4-pentan-3-yloxyphenyl)hydroxylamine

O-(4-pentan-3-yloxyphenyl)hydroxylamine (PubChem CID 163751792) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is O-(4-pentan-3-yloxyphenyl)hydroxylamine.

Molecular Properties

Compound NameO-(4-pentan-3-yloxyphenyl)hydroxylamine
PubChem CID163751792
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameO-(4-pentan-3-yloxyphenyl)hydroxylamine
SMILESCCC(CC)Oc1ccc(ON)cc1
InChIInChI=1S/C11H17NO2/c1-3-9(4-2)13-10-5-7-11(14-12)8-6-10/h5-9H,3-4,12H2,1-2H3
InChIKeyLQPIDZBCIXQWQF-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-(4-pentan-3-yloxyphenyl)hydroxylamine?
The IUPAC name of O-(4-pentan-3-yloxyphenyl)hydroxylamine (CID 163751792) is O-(4-pentan-3-yloxyphenyl)hydroxylamine.
What is the SMILES notation for O-(4-pentan-3-yloxyphenyl)hydroxylamine?
The canonical SMILES for O-(4-pentan-3-yloxyphenyl)hydroxylamine is CCC(CC)Oc1ccc(ON)cc1.
What is the InChIKey of O-(4-pentan-3-yloxyphenyl)hydroxylamine?
The InChIKey is LQPIDZBCIXQWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-9(4-2)13-10-5-7-11(14-12)8-6-10/h5-9H,3-4,12H2,1-2H3.
What are the key properties of O-(4-pentan-3-yloxyphenyl)hydroxylamine?
O-(4-pentan-3-yloxyphenyl)hydroxylamine has a molecular weight of 195.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-pentan-3-yloxyphenyl)hydroxylamine is sourced from PubChem (CID 163751792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).