4-(2-azido-1-hydroxyethyl)phenol

C8H9N3O2 — CID 102442707

IUPAC4-(2-azido-1-hydroxyethyl)phenol
SMILES[N-]=[N+]=NCC(O)c1ccc(O)cc1
InChIInChI=1S/C8H9N3O2/c9-11-10-5-8(13)6-1-3-7(12)4-2-6/h1-4,8,12-13H,5H2
InChIKeyLKAIGXQWQNQWFI-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.74
Rot. Bonds3

About 4-(2-azido-1-hydroxyethyl)phenol

4-(2-azido-1-hydroxyethyl)phenol (PubChem CID 102442707) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-(2-azido-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name4-(2-azido-1-hydroxyethyl)phenol
PubChem CID102442707
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-(2-azido-1-hydroxyethyl)phenol
SMILES[N-]=[N+]=NCC(O)c1ccc(O)cc1
InChIInChI=1S/C8H9N3O2/c9-11-10-5-8(13)6-1-3-7(12)4-2-6/h1-4,8,12-13H,5H2
InChIKeyLKAIGXQWQNQWFI-UHFFFAOYSA-N
XLogP1.74
TPSA89.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azido-1-hydroxyethyl)phenol?
The IUPAC name of 4-(2-azido-1-hydroxyethyl)phenol (CID 102442707) is 4-(2-azido-1-hydroxyethyl)phenol.
What is the SMILES notation for 4-(2-azido-1-hydroxyethyl)phenol?
The canonical SMILES for 4-(2-azido-1-hydroxyethyl)phenol is [N-]=[N+]=NCC(O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-azido-1-hydroxyethyl)phenol?
The InChIKey is LKAIGXQWQNQWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-11-10-5-8(13)6-1-3-7(12)4-2-6/h1-4,8,12-13H,5H2.
What are the key properties of 4-(2-azido-1-hydroxyethyl)phenol?
4-(2-azido-1-hydroxyethyl)phenol has a molecular weight of 179.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azido-1-hydroxyethyl)phenol is sourced from PubChem (CID 102442707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).