2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol

C18H20ClN3O — CID 20576425

IUPAC2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)cc(-n2nc3ccc(Cl)cc3n2)c1O
InChIInChI=1S/C18H20ClN3O/c1-5-18(3,4)13-8-11(2)9-16(17(13)23)22-20-14-7-6-12(19)10-15(14)21-22/h6-10,23H,5H2,1-4H3
InChIKeyJEACAPFXCQGFSZ-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.78
Rot. Bonds3

About 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol

2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol (PubChem CID 20576425) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol
PubChem CID20576425
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(C)cc(-n2nc3ccc(Cl)cc3n2)c1O
InChIInChI=1S/C18H20ClN3O/c1-5-18(3,4)13-8-11(2)9-16(17(13)23)22-20-14-7-6-12(19)10-15(14)21-22/h6-10,23H,5H2,1-4H3
InChIKeyJEACAPFXCQGFSZ-UHFFFAOYSA-N
XLogP4.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.78
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-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol (CID 20576425) is 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(C)cc(-n2nc3ccc(Cl)cc3n2)c1O.
What is the InChIKey of 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol?
The InChIKey is JEACAPFXCQGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-5-18(3,4)13-8-11(2)9-16(17(13)23)22-20-14-7-6-12(19)10-15(14)21-22/h6-10,23H,5H2,1-4H3.
What are the key properties of 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol?
2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol has a molecular weight of 329.83 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 20576425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).