4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol

C15H15BrN2O — CID 3537152

IUPAC4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol
SMILESCc1cc(C)c(/N=N/c2cc(Br)ccc2O)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-9-6-10(2)15(11(3)7-9)18-17-13-8-12(16)4-5-14(13)19/h4-8,19H,1-3H3/b18-17+
InChIKeyGUWUFDJSYSOXDB-ISLYRVAYSA-N
MW319.20 g/mol
LogP5.50
Rot. Bonds2

About 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol

4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol (PubChem CID 3537152) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol
PubChem CID3537152
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol
SMILESCc1cc(C)c(/N=N/c2cc(Br)ccc2O)c(C)c1
InChIInChI=1S/C15H15BrN2O/c1-9-6-10(2)15(11(3)7-9)18-17-13-8-12(16)4-5-14(13)19/h4-8,19H,1-3H3/b18-17+
InChIKeyGUWUFDJSYSOXDB-ISLYRVAYSA-N
XLogP5.50
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.20
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol?
The IUPAC name of 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol (CID 3537152) is 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol?
The canonical SMILES for 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol is Cc1cc(C)c(/N=N/c2cc(Br)ccc2O)c(C)c1.
What is the InChIKey of 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol?
The InChIKey is GUWUFDJSYSOXDB-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-6-10(2)15(11(3)7-9)18-17-13-8-12(16)4-5-14(13)19/h4-8,19H,1-3H3/b18-17+.
What are the key properties of 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol?
4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol has a molecular weight of 319.20 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,4,6-trimethylphenyl)diazenyl]phenol is sourced from PubChem (CID 3537152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).