2-(4-azidophenyl)ethanol

C8H9N3O — CID 14892433

IUPAC2-(4-azidophenyl)ethanol
SMILES[N-]=[N+]=Nc1ccc(CCO)cc1
InChIInChI=1S/C8H9N3O/c9-11-10-8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2
InChIKeyNASVKGVQQLAHPV-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-azidophenyl)ethanol

2-(4-azidophenyl)ethanol (PubChem CID 14892433) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(4-azidophenyl)ethanol.

Molecular Properties

Compound Name2-(4-azidophenyl)ethanol
PubChem CID14892433
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(4-azidophenyl)ethanol
SMILES[N-]=[N+]=Nc1ccc(CCO)cc1
InChIInChI=1S/C8H9N3O/c9-11-10-8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2
InChIKeyNASVKGVQQLAHPV-UHFFFAOYSA-N
XLogP2.16
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-azidophenyl)ethanol?
The IUPAC name of 2-(4-azidophenyl)ethanol (CID 14892433) is 2-(4-azidophenyl)ethanol.
What is the SMILES notation for 2-(4-azidophenyl)ethanol?
The canonical SMILES for 2-(4-azidophenyl)ethanol is [N-]=[N+]=Nc1ccc(CCO)cc1.
What is the InChIKey of 2-(4-azidophenyl)ethanol?
The InChIKey is NASVKGVQQLAHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-11-10-8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2.
What are the key properties of 2-(4-azidophenyl)ethanol?
2-(4-azidophenyl)ethanol has a molecular weight of 163.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidophenyl)ethanol is sourced from PubChem (CID 14892433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).