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

C10H13N3O — CID 151948155

IUPAC3-(azidomethyl)-2,4,6-trimethylphenol
SMILESCc1cc(C)c(CN=[N+]=[N-])c(C)c1O
InChIInChI=1S/C10H13N3O/c1-6-4-7(2)10(14)8(3)9(6)5-12-13-11/h4,14H,5H2,1-3H3
InChIKeyTWBOKTOZKCEMJB-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.13
Rot. Bonds2

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

3-(azidomethyl)-2,4,6-trimethylphenol (PubChem CID 151948155) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(azidomethyl)-2,4,6-trimethylphenol.

Molecular Properties

Compound Name3-(azidomethyl)-2,4,6-trimethylphenol
PubChem CID151948155
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-(azidomethyl)-2,4,6-trimethylphenol
SMILESCc1cc(C)c(CN=[N+]=[N-])c(C)c1O
InChIInChI=1S/C10H13N3O/c1-6-4-7(2)10(14)8(3)9(6)5-12-13-11/h4,14H,5H2,1-3H3
InChIKeyTWBOKTOZKCEMJB-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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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-2,4,6-trimethylphenol?
The IUPAC name of 3-(azidomethyl)-2,4,6-trimethylphenol (CID 151948155) is 3-(azidomethyl)-2,4,6-trimethylphenol.
What is the SMILES notation for 3-(azidomethyl)-2,4,6-trimethylphenol?
The canonical SMILES for 3-(azidomethyl)-2,4,6-trimethylphenol is Cc1cc(C)c(CN=[N+]=[N-])c(C)c1O.
What is the InChIKey of 3-(azidomethyl)-2,4,6-trimethylphenol?
The InChIKey is TWBOKTOZKCEMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6-4-7(2)10(14)8(3)9(6)5-12-13-11/h4,14H,5H2,1-3H3.
What are the key properties of 3-(azidomethyl)-2,4,6-trimethylphenol?
3-(azidomethyl)-2,4,6-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 3-(azidomethyl)-2,4,6-trimethylphenol is sourced from PubChem (CID 151948155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).