O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine

C12H17NO2 — CID 117296388

IUPACO-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(C2CCCO2)cc1
InChIInChI=1S/C12H17NO2/c13-15-9-7-10-3-5-11(6-4-10)12-2-1-8-14-12/h3-6,12H,1-2,7-9,13H2
InChIKeyJLUWFIBKMNLXFH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.97
Rot. Bonds4

About O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine

O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine (PubChem CID 117296388) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine
PubChem CID117296388
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameO-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine
SMILESNOCCc1ccc(C2CCCO2)cc1
InChIInChI=1S/C12H17NO2/c13-15-9-7-10-3-5-11(6-4-10)12-2-1-8-14-12/h3-6,12H,1-2,7-9,13H2
InChIKeyJLUWFIBKMNLXFH-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.97
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-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine (CID 117296388) is O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine is NOCCc1ccc(C2CCCO2)cc1.
What is the InChIKey of O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine?
The InChIKey is JLUWFIBKMNLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-15-9-7-10-3-5-11(6-4-10)12-2-1-8-14-12/h3-6,12H,1-2,7-9,13H2.
What are the key properties of O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine?
O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine has a molecular weight of 207.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[4-(oxolan-2-yl)phenyl]ethyl]hydroxylamine is sourced from PubChem (CID 117296388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).