2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol

C16H16ClN3O — CID 57193432

IUPAC2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)ccc1O
InChIInChI=1S/C16H16ClN3O/c1-16(2,3)12-9-11(5-7-15(12)21)20-18-13-6-4-10(17)8-14(13)19-20/h4-9,21H,1-3H3
InChIKeyYNOQOUSCAGFIAE-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.08
Rot. Bonds1

About 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol

2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol (PubChem CID 57193432) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
PubChem CID57193432
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
SMILESCC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)ccc1O
InChIInChI=1S/C16H16ClN3O/c1-16(2,3)12-9-11(5-7-15(12)21)20-18-13-6-4-10(17)8-14(13)19-20/h4-9,21H,1-3H3
InChIKeyYNOQOUSCAGFIAE-UHFFFAOYSA-N
XLogP4.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenol
CID 3014188
2,3-ditert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol
CID 22165805
2,3-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol
CID 19611890
2,6-ditert-butyl-4-[[3-(5-chlorobenzotriazol-2-yl)-4-hydroxyphenyl]methyl]phenol
CID 88766235
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol;uranium;vanadium
CID 159773786
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(trideuteriomethyl)phenol
CID 139026087
6-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-3-(2,4,4-trimethylpentan-2-yl)phenol
CID 154015278
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(1-hydroxypropyl)phenol
CID 22644207
5-chloro-2-(3,5-ditert-butyl-2-methoxyphenyl)benzotriazole
CID 11210958
5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
[4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)phenyl] acetate
CID 67843311
2-[3-tert-butyl-5-methyl-2-(3-methylbut-2-enoxy)phenyl]-5-chlorobenzotriazole
CID 145376282

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
The IUPAC name of 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol (CID 57193432) is 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol.
What is the SMILES notation for 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
The canonical SMILES for 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol is CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)ccc1O.
What is the InChIKey of 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
The InChIKey is YNOQOUSCAGFIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-16(2,3)12-9-11(5-7-15(12)21)20-18-13-6-4-10(17)8-14(13)19-20/h4-9,21H,1-3H3.
What are the key properties of 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol?
2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol has a molecular weight of 301.78 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(5-chlorobenzotriazol-2-yl)phenol is sourced from PubChem (CID 57193432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).