4-(azidomethyl)-2,3,6-trimethylphenol

C10H13N3O — CID 117109202

IUPAC4-(azidomethyl)-2,3,6-trimethylphenol
SMILESCc1cc(CN=[N+]=[N-])c(C)c(C)c1O
InChIInChI=1S/C10H13N3O/c1-6-4-9(5-12-13-11)7(2)8(3)10(6)14/h4,14H,5H2,1-3H3
InChIKeyMDIOONCYMVXITR-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.13
Rot. Bonds2

About 4-(azidomethyl)-2,3,6-trimethylphenol

4-(azidomethyl)-2,3,6-trimethylphenol (PubChem CID 117109202) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(azidomethyl)-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-(azidomethyl)-2,3,6-trimethylphenol
PubChem CID117109202
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(azidomethyl)-2,3,6-trimethylphenol
SMILESCc1cc(CN=[N+]=[N-])c(C)c(C)c1O
InChIInChI=1S/C10H13N3O/c1-6-4-9(5-12-13-11)7(2)8(3)10(6)14/h4,14H,5H2,1-3H3
InChIKeyMDIOONCYMVXITR-UHFFFAOYSA-N
XLogP3.13
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.13
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

3-(azidomethyl)-2,4,6-trimethylphenol
CID 151948155
2-(azidomethyl)-4-bromo-3,5,6-trimethylphenol
CID 117109212
4-butyl-2,3,6-trimethylphenol
CID 91610949
5-(azidomethyl)-4-(hydroxymethyl)-2-methylpyridin-3-ol
CID 20577176
2-(azidomethyl)-1,3,5-trimethylbenzene
CID 10631091
1-(azidomethyl)-2-methyl-4-(trifluoromethyl)benzene
CID 150075481
4-[(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol;phenol
CID 22601831
1,3-bis(azidomethyl)-2-methoxy-5-methylbenzene
CID 58764698
4-(azidomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 154501666
2-(azidomethyl)-4-methoxyphenol
CID 16655853
2,3,5-trimethylbenzene-1,4-diol
CID 87406815
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-2,3,6-trimethylphenol?
The IUPAC name of 4-(azidomethyl)-2,3,6-trimethylphenol (CID 117109202) is 4-(azidomethyl)-2,3,6-trimethylphenol.
What is the SMILES notation for 4-(azidomethyl)-2,3,6-trimethylphenol?
The canonical SMILES for 4-(azidomethyl)-2,3,6-trimethylphenol is Cc1cc(CN=[N+]=[N-])c(C)c(C)c1O.
What is the InChIKey of 4-(azidomethyl)-2,3,6-trimethylphenol?
The InChIKey is MDIOONCYMVXITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-4-9(5-12-13-11)7(2)8(3)10(6)14/h4,14H,5H2,1-3H3.
What are the key properties of 4-(azidomethyl)-2,3,6-trimethylphenol?
4-(azidomethyl)-2,3,6-trimethylphenol has a molecular weight of 191.23 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-2,3,6-trimethylphenol is sourced from PubChem (CID 117109202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).