1-(2-azidophenoxy)propan-1-ol

C9H11N3O2 — CID 19434663

IUPAC1-(2-azidophenoxy)propan-1-ol
SMILESCCC(O)Oc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C9H11N3O2/c1-2-9(13)14-8-6-4-3-5-7(8)11-12-10/h3-6,9,13H,2H2,1H3
InChIKeyLPYMSNOQTZVZKR-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.74
Rot. Bonds4

About 1-(2-azidophenoxy)propan-1-ol

1-(2-azidophenoxy)propan-1-ol (PubChem CID 19434663) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(2-azidophenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-azidophenoxy)propan-1-ol
PubChem CID19434663
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(2-azidophenoxy)propan-1-ol
SMILESCCC(O)Oc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C9H11N3O2/c1-2-9(13)14-8-6-4-3-5-7(8)11-12-10/h3-6,9,13H,2H2,1H3
InChIKeyLPYMSNOQTZVZKR-UHFFFAOYSA-N
XLogP2.74
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidophenoxy)propan-1-ol?
The IUPAC name of 1-(2-azidophenoxy)propan-1-ol (CID 19434663) is 1-(2-azidophenoxy)propan-1-ol.
What is the SMILES notation for 1-(2-azidophenoxy)propan-1-ol?
The canonical SMILES for 1-(2-azidophenoxy)propan-1-ol is CCC(O)Oc1ccccc1N=[N+]=[N-].
What is the InChIKey of 1-(2-azidophenoxy)propan-1-ol?
The InChIKey is LPYMSNOQTZVZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-9(13)14-8-6-4-3-5-7(8)11-12-10/h3-6,9,13H,2H2,1H3.
What are the key properties of 1-(2-azidophenoxy)propan-1-ol?
1-(2-azidophenoxy)propan-1-ol has a molecular weight of 193.21 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidophenoxy)propan-1-ol is sourced from PubChem (CID 19434663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).