2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol

C21H27N3O — CID 22960266

IUPAC2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H27N3O/c1-7-21(5,6)14-12-15(20(2,3)4)19(25)18(13-14)24-22-16-10-8-9-11-17(16)23-24/h8-13,25H,7H2,1-6H3
InChIKeyWBMLWIZOJFOFRT-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.11
Rot. Bonds3

About 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol

2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol (PubChem CID 22960266) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol
PubChem CID22960266
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H27N3O/c1-7-21(5,6)14-12-15(20(2,3)4)19(25)18(13-14)24-22-16-10-8-9-11-17(16)23-24/h8-13,25H,7H2,1-6H3
InChIKeyWBMLWIZOJFOFRT-UHFFFAOYSA-N
XLogP5.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol (CID 22960266) is 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol?
The InChIKey is WBMLWIZOJFOFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-7-21(5,6)14-12-15(20(2,3)4)19(25)18(13-14)24-22-16-10-8-9-11-17(16)23-24/h8-13,25H,7H2,1-6H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol?
2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol has a molecular weight of 337.47 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 22960266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).