2-azido-4-(4-methylphenyl)phenol

C13H11N3O — CID 11586627

IUPAC2-azido-4-(4-methylphenyl)phenol
SMILESCc1ccc(-c2ccc(O)c(N=[N+]=[N-])c2)cc1
InChIInChI=1S/C13H11N3O/c1-9-2-4-10(5-3-9)11-6-7-13(17)12(8-11)15-16-14/h2-8,17H,1H3
InChIKeySISXNUPUIDQWSR-UHFFFAOYSA-N
MW225.25 g/mol
LogP4.31
Rot. Bonds2

About 2-azido-4-(4-methylphenyl)phenol

2-azido-4-(4-methylphenyl)phenol (PubChem CID 11586627) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-azido-4-(4-methylphenyl)phenol.

Molecular Properties

Compound Name2-azido-4-(4-methylphenyl)phenol
PubChem CID11586627
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-azido-4-(4-methylphenyl)phenol
SMILESCc1ccc(-c2ccc(O)c(N=[N+]=[N-])c2)cc1
InChIInChI=1S/C13H11N3O/c1-9-2-4-10(5-3-9)11-6-7-13(17)12(8-11)15-16-14/h2-8,17H,1H3
InChIKeySISXNUPUIDQWSR-UHFFFAOYSA-N
XLogP4.31
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 54.31
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

2-azido-5-methylbenzene-1,4-diol
CID 71348904
2-azido-4-(trifluoromethyl)phenol
CID 118418215
methyl 3-azido-4-hydroxybenzoate
CID 62706001
2-(2-azidophenoxy)-5-methylphenol
CID 86607775
2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol
CID 135767214
2-azido-5-(3-methylphenyl)aniline
CID 23461148
3-azido-4-hydroxy-N-methoxy-N-methylbenzamide
CID 155204410
2-azido-4-methylbenzenesulfonic acid
CID 21159589
2-azido-5-methylbenzaldehyde
CID 14085174
1-azido-2-methoxy-4-methylbenzene
CID 152671087
2-(2-azidoethyl)-4-methylphenol
CID 151587113
1-azido-2-(chloromethyl)-4-methylbenzene
CID 10464942

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-(4-methylphenyl)phenol?
The IUPAC name of 2-azido-4-(4-methylphenyl)phenol (CID 11586627) is 2-azido-4-(4-methylphenyl)phenol.
What is the SMILES notation for 2-azido-4-(4-methylphenyl)phenol?
The canonical SMILES for 2-azido-4-(4-methylphenyl)phenol is Cc1ccc(-c2ccc(O)c(N=[N+]=[N-])c2)cc1.
What is the InChIKey of 2-azido-4-(4-methylphenyl)phenol?
The InChIKey is SISXNUPUIDQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-2-4-10(5-3-9)11-6-7-13(17)12(8-11)15-16-14/h2-8,17H,1H3.
What are the key properties of 2-azido-4-(4-methylphenyl)phenol?
2-azido-4-(4-methylphenyl)phenol has a molecular weight of 225.25 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-(4-methylphenyl)phenol is sourced from PubChem (CID 11586627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).