[2-(azidomethyl)phenyl]methanol

C8H9N3O — CID 11378674

IUPAC[2-(azidomethyl)phenyl]methanol
SMILES[N-]=[N+]=NCc1ccccc1CO
InChIInChI=1S/C8H9N3O/c9-11-10-5-7-3-1-2-4-8(7)6-12/h1-4,12H,5-6H2
InChIKeyQKZROTJJAQYHHP-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.99
Rot. Bonds3

About [2-(azidomethyl)phenyl]methanol

[2-(azidomethyl)phenyl]methanol (PubChem CID 11378674) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is [2-(azidomethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(azidomethyl)phenyl]methanol
PubChem CID11378674
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name[2-(azidomethyl)phenyl]methanol
SMILES[N-]=[N+]=NCc1ccccc1CO
InChIInChI=1S/C8H9N3O/c9-11-10-5-7-3-1-2-4-8(7)6-12/h1-4,12H,5-6H2
InChIKeyQKZROTJJAQYHHP-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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-(azidomethyl)phenyl]methanol?
The IUPAC name of [2-(azidomethyl)phenyl]methanol (CID 11378674) is [2-(azidomethyl)phenyl]methanol.
What is the SMILES notation for [2-(azidomethyl)phenyl]methanol?
The canonical SMILES for [2-(azidomethyl)phenyl]methanol is [N-]=[N+]=NCc1ccccc1CO.
What is the InChIKey of [2-(azidomethyl)phenyl]methanol?
The InChIKey is QKZROTJJAQYHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-11-10-5-7-3-1-2-4-8(7)6-12/h1-4,12H,5-6H2.
What are the key properties of [2-(azidomethyl)phenyl]methanol?
[2-(azidomethyl)phenyl]methanol has a molecular weight of 163.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azidomethyl)phenyl]methanol is sourced from PubChem (CID 11378674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).