2-(2-azidophenoxy)-5-methylphenol

C13H11N3O2 — CID 86607775

IUPAC2-(2-azidophenoxy)-5-methylphenol
SMILESCc1ccc(Oc2ccccc2N=[N+]=[N-])c(O)c1
InChIInChI=1S/C13H11N3O2/c1-9-6-7-13(11(17)8-9)18-12-5-3-2-4-10(12)15-16-14/h2-8,17H,1H3
InChIKeyOWKPAIDFZGLSDF-UHFFFAOYSA-N
MW241.25 g/mol
LogP4.43
Rot. Bonds3

About 2-(2-azidophenoxy)-5-methylphenol

2-(2-azidophenoxy)-5-methylphenol (PubChem CID 86607775) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-azidophenoxy)-5-methylphenol.

Molecular Properties

Compound Name2-(2-azidophenoxy)-5-methylphenol
PubChem CID86607775
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(2-azidophenoxy)-5-methylphenol
SMILESCc1ccc(Oc2ccccc2N=[N+]=[N-])c(O)c1
InChIInChI=1S/C13H11N3O2/c1-9-6-7-13(11(17)8-9)18-12-5-3-2-4-10(12)15-16-14/h2-8,17H,1H3
InChIKeyOWKPAIDFZGLSDF-UHFFFAOYSA-N
XLogP4.43
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2,4-dimethylphenoxy)phenol
CID 91665530
1-azido-2-methoxy-4-methylbenzene
CID 152671087
2-[2-(2-hydroxy-4-methylphenoxy)-N-(2-hydroxy-5-methylphenyl)anilino]-4-methylphenol
CID 101332094
2-azido-4-(4-methylphenyl)phenol
CID 11586627
1-(2-azidophenoxy)propan-1-ol
CID 19434663
2-(2-hydroxyphenoxy)-4,5-dimethylphenol
CID 91665428
methyl 5-(2-azidophenoxy)furan-2-carboxylate
CID 12748629
1-azido-2-(2,2-difluoroethoxy)-4-methylbenzene
CID 169325952
1,3-diazido-2-methylbenzene
CID 71379514
methyl (Z)-2-amino-3-[N-amino-2-(2-hydroxy-4-methylphenoxy)anilino]prop-2-enoate
CID 143255228
2-aminooxy-5-methylphenol;ethane
CID 144810580
2-(3-methylphenoxy)phenol
CID 22051950

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidophenoxy)-5-methylphenol?
The IUPAC name of 2-(2-azidophenoxy)-5-methylphenol (CID 86607775) is 2-(2-azidophenoxy)-5-methylphenol.
What is the SMILES notation for 2-(2-azidophenoxy)-5-methylphenol?
The canonical SMILES for 2-(2-azidophenoxy)-5-methylphenol is Cc1ccc(Oc2ccccc2N=[N+]=[N-])c(O)c1.
What is the InChIKey of 2-(2-azidophenoxy)-5-methylphenol?
The InChIKey is OWKPAIDFZGLSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-9-6-7-13(11(17)8-9)18-12-5-3-2-4-10(12)15-16-14/h2-8,17H,1H3.
What are the key properties of 2-(2-azidophenoxy)-5-methylphenol?
2-(2-azidophenoxy)-5-methylphenol has a molecular weight of 241.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidophenoxy)-5-methylphenol is sourced from PubChem (CID 86607775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).