2-(azidomethyl)-4-methoxyphenol

C8H9N3O2 — CID 16655853

IUPAC2-(azidomethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(CN=[N+]=[N-])c1
InChIInChI=1S/C8H9N3O2/c1-13-7-2-3-8(12)6(4-7)5-10-11-9/h2-4,12H,5H2,1H3
InChIKeyICKFYRJHOUFFPQ-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.21
Rot. Bonds3

About 2-(azidomethyl)-4-methoxyphenol

2-(azidomethyl)-4-methoxyphenol (PubChem CID 16655853) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(azidomethyl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(azidomethyl)-4-methoxyphenol
PubChem CID16655853
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-(azidomethyl)-4-methoxyphenol
SMILESCOc1ccc(O)c(CN=[N+]=[N-])c1
InChIInChI=1S/C8H9N3O2/c1-13-7-2-3-8(12)6(4-7)5-10-11-9/h2-4,12H,5H2,1H3
InChIKeyICKFYRJHOUFFPQ-UHFFFAOYSA-N
XLogP2.21
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', '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

1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
2-(diazenylmethyl)-4-methoxyphenol
CID 91523792
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
4-azido-1-(2-hydroxy-5-methoxyphenyl)butane-1,2-diol
CID 171879327
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
1-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]-3-propylguanidine;hydroiodide
CID 111794004
2-[2-(azidomethyl)-4-methoxyphenyl]-5-methylpyrazole-3-carboxylic acid
CID 11335179
1-tert-butyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111813379
2-(4-azidobut-1-enyl)-5-methoxyphenol
CID 170485115
3-[2-(azidomethyl)-4-methoxyphenyl]-4-hydroxy-6,7-dimethoxychromen-2-one
CID 102508763
(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide
CID 56773565

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-4-methoxyphenol?
The IUPAC name of 2-(azidomethyl)-4-methoxyphenol (CID 16655853) is 2-(azidomethyl)-4-methoxyphenol.
What is the SMILES notation for 2-(azidomethyl)-4-methoxyphenol?
The canonical SMILES for 2-(azidomethyl)-4-methoxyphenol is COc1ccc(O)c(CN=[N+]=[N-])c1.
What is the InChIKey of 2-(azidomethyl)-4-methoxyphenol?
The InChIKey is ICKFYRJHOUFFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-13-7-2-3-8(12)6(4-7)5-10-11-9/h2-4,12H,5H2,1H3.
What are the key properties of 2-(azidomethyl)-4-methoxyphenol?
2-(azidomethyl)-4-methoxyphenol has a molecular weight of 179.18 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-4-methoxyphenol is sourced from PubChem (CID 16655853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).