azido(phenyl)methanol

C7H7N3O — CID 59611949

IUPACazido(phenyl)methanol
SMILES[N-]=[N+]=NC(O)c1ccccc1
InChIInChI=1S/C7H7N3O/c8-10-9-7(11)6-4-2-1-3-5-6/h1-5,7,11H
InChIKeyRXWGKZMNACHQDD-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.99
Rot. Bonds2

About azido(phenyl)methanol

azido(phenyl)methanol (PubChem CID 59611949) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is azido(phenyl)methanol.

Molecular Properties

Compound Nameazido(phenyl)methanol
PubChem CID59611949
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Nameazido(phenyl)methanol
SMILES[N-]=[N+]=NC(O)c1ccccc1
InChIInChI=1S/C7H7N3O/c8-10-9-7(11)6-4-2-1-3-5-6/h1-5,7,11H
InChIKeyRXWGKZMNACHQDD-UHFFFAOYSA-N
XLogP1.99
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
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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Related Compounds

(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
[azido(fluoro)methyl]benzene
CID 123240072
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
1-azidoethylbenzene;rutherfordium
CID 164682977
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200
4-[azido(phenyl)methyl]phenol
CID 134907898
(2R)-1-azido-1-phenylpropan-2-amine
CID 118411737
(1-azido-2-chloroethyl)benzene
CID 13032303
[(2S,3S)-3-azidobutan-2-yl]benzene
CID 131049282
(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
CID 10445684
(1R,2R)-2-azido-2-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12014849

Frequently Asked Questions

What is the IUPAC name of azido(phenyl)methanol?
The IUPAC name of azido(phenyl)methanol (CID 59611949) is azido(phenyl)methanol.
What is the SMILES notation for azido(phenyl)methanol?
The canonical SMILES for azido(phenyl)methanol is [N-]=[N+]=NC(O)c1ccccc1.
What is the InChIKey of azido(phenyl)methanol?
The InChIKey is RXWGKZMNACHQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-10-9-7(11)6-4-2-1-3-5-6/h1-5,7,11H.
What are the key properties of azido(phenyl)methanol?
azido(phenyl)methanol has a molecular weight of 149.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azido(phenyl)methanol is sourced from PubChem (CID 59611949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).