4-[azido(phenyl)methyl]phenol

C13H11N3O — CID 134907898

IUPAC4-[azido(phenyl)methyl]phenol
SMILES[N-]=[N+]=NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H11N3O/c14-16-15-13(10-4-2-1-3-5-10)11-6-8-12(17)9-7-11/h1-9,13,17H
InChIKeyMTQZRWVURBNIMC-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.79
Rot. Bonds3

About 4-[azido(phenyl)methyl]phenol

4-[azido(phenyl)methyl]phenol (PubChem CID 134907898) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[azido(phenyl)methyl]phenol.

Molecular Properties

Compound Name4-[azido(phenyl)methyl]phenol
PubChem CID134907898
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-[azido(phenyl)methyl]phenol
SMILES[N-]=[N+]=NC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H11N3O/c14-16-15-13(10-4-2-1-3-5-10)11-6-8-12(17)9-7-11/h1-9,13,17H
InChIKeyMTQZRWVURBNIMC-UHFFFAOYSA-N
XLogP3.79
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.79
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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Related Compounds

[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
3-[azido(phenyl)methyl]benzoic acid
CID 71093139
4-[4-[azido(phenyl)methyl]phenyl]butanoic acid
CID 10732631
azido(phenyl)methanol
CID 59611949
methyl 3-[azido(phenyl)methyl]benzoate
CID 71093097
[azido(fluoro)methyl]benzene
CID 123240072
methyl 4-[4-[(R)-azido(phenyl)methyl]phenyl]butanoate
CID 10733679
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
4-[azido-(4-cyanophenyl)methyl]benzonitrile
CID 54770655
phenol azide
CID 22719179
1-azidoethylbenzene;rutherfordium
CID 164682977
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200

Frequently Asked Questions

What is the IUPAC name of 4-[azido(phenyl)methyl]phenol?
The IUPAC name of 4-[azido(phenyl)methyl]phenol (CID 134907898) is 4-[azido(phenyl)methyl]phenol.
What is the SMILES notation for 4-[azido(phenyl)methyl]phenol?
The canonical SMILES for 4-[azido(phenyl)methyl]phenol is [N-]=[N+]=NC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[azido(phenyl)methyl]phenol?
The InChIKey is MTQZRWVURBNIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-16-15-13(10-4-2-1-3-5-10)11-6-8-12(17)9-7-11/h1-9,13,17H.
What are the key properties of 4-[azido(phenyl)methyl]phenol?
4-[azido(phenyl)methyl]phenol has a molecular weight of 225.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[azido(phenyl)methyl]phenol is sourced from PubChem (CID 134907898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).