2-[3-(azidomethyl)phenyl]ethanol

C9H11N3O — CID 117109153

IUPAC2-[3-(azidomethyl)phenyl]ethanol
SMILES[N-]=[N+]=NCc1cccc(CCO)c1
InChIInChI=1S/C9H11N3O/c10-12-11-7-9-3-1-2-8(6-9)4-5-13/h1-3,6,13H,4-5,7H2
InChIKeyNMHWCTAAXULOJO-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.03
Rot. Bonds4

About 2-[3-(azidomethyl)phenyl]ethanol

2-[3-(azidomethyl)phenyl]ethanol (PubChem CID 117109153) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-[3-(azidomethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(azidomethyl)phenyl]ethanol
PubChem CID117109153
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-[3-(azidomethyl)phenyl]ethanol
SMILES[N-]=[N+]=NCc1cccc(CCO)c1
InChIInChI=1S/C9H11N3O/c10-12-11-7-9-3-1-2-8(6-9)4-5-13/h1-3,6,13H,4-5,7H2
InChIKeyNMHWCTAAXULOJO-UHFFFAOYSA-N
XLogP2.03
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.03
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'}

Analyze 2-[3-(azidomethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azidomethyl)-3-(2-methoxyethyl)benzene
CID 117109154
[3-(azidomethyl)phenyl]methanamine
CID 150198428
1-(azidomethyl)-3-methylbenzene
CID 2736816
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
3-(azidomethyl)benzamide
CID 61374948
3-(azidomethyl)-N-methylaniline
CID 150848183
2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
[3-(azidomethyl)phenoxy]-trimethylsilane
CID 150826062
4-[[[3-(azidomethyl)phenyl]methyl-methylamino]methyl]-N,N-dimethylaniline
CID 53231787
1-[3-(azidomethyl)phenyl]ethanone;1-[3-(bromomethyl)phenyl]ethanone
CID 157481352
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
CID 117109137
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azidomethyl)phenyl]ethanol?
The IUPAC name of 2-[3-(azidomethyl)phenyl]ethanol (CID 117109153) is 2-[3-(azidomethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(azidomethyl)phenyl]ethanol?
The canonical SMILES for 2-[3-(azidomethyl)phenyl]ethanol is [N-]=[N+]=NCc1cccc(CCO)c1.
What is the InChIKey of 2-[3-(azidomethyl)phenyl]ethanol?
The InChIKey is NMHWCTAAXULOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-12-11-7-9-3-1-2-8(6-9)4-5-13/h1-3,6,13H,4-5,7H2.
What are the key properties of 2-[3-(azidomethyl)phenyl]ethanol?
2-[3-(azidomethyl)phenyl]ethanol has a molecular weight of 177.21 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azidomethyl)phenyl]ethanol is sourced from PubChem (CID 117109153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).