2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol

C21H26ClN3O — CID 134271050

IUPAC2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H26ClN3O/c1-20(2,3)12-13-9-15(21(4,5)6)19(26)18(10-13)25-23-16-8-7-14(22)11-17(16)24-25/h7-11,26H,12H2,1-6H3
InChIKeyQDRWHJIPFLGRRL-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.67
Rot. Bonds2

About 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol

2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol (PubChem CID 134271050) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol
PubChem CID134271050
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H26ClN3O/c1-20(2,3)12-13-9-15(21(4,5)6)19(26)18(10-13)25-23-16-8-7-14(22)11-17(16)24-25/h7-11,26H,12H2,1-6H3
InChIKeyQDRWHJIPFLGRRL-UHFFFAOYSA-N
XLogP5.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Octrizole
CID 62485
UV-328
CID 33263
Tinuvin
CID 62531
2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol
CID 77470
2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
CID 112412
2-(2'-Hydroxy-3'5-di-tert-butylphenyl) benzotriazole
CID 77455
4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CID 118327
Drometrizole trisiloxane
CID 9848888
2-(3'-tert-Butyl-2'-hydroxy-5'-(2-methoxycarbonylethyl)phenyl)benzotriazole
CID 93481
2-(2H-Benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)phenol
CID 9803353
Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
CID 76605
2-(2-Hydroxy-3-dodecyl-5-methylphenyl)benzotriazole
CID 86375

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol?
The IUPAC name of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol (CID 134271050) is 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol is CC(C)(C)Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol?
The InChIKey is QDRWHJIPFLGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-20(2,3)12-13-9-15(21(4,5)6)19(26)18(10-13)25-23-16-8-7-14(22)11-17(16)24-25/h7-11,26H,12H2,1-6H3.
What are the key properties of 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol?
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol has a molecular weight of 371.91 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 134271050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).