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

C21H27N3O — CID 134912355

IUPAC2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H27N3O/c1-20(2,3)13-14-11-15(21(4,5)6)19(25)18(12-14)24-22-16-9-7-8-10-17(16)23-24/h7-12,25H,13H2,1-6H3
InChIKeyAZJROUWIUINKFT-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.01
Rot. Bonds2

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

2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol (PubChem CID 134912355) 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-(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol
PubChem CID134912355
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C21H27N3O/c1-20(2,3)13-14-11-15(21(4,5)6)19(25)18(12-14)24-22-16-9-7-8-10-17(16)23-24/h7-12,25H,13H2,1-6H3
InChIKeyAZJROUWIUINKFT-UHFFFAOYSA-N
XLogP5.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.01
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-(2,2-dimethylpropyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol (CID 134912355) is 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol is CC(C)(C)Cc1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol?
The InChIKey is AZJROUWIUINKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-20(2,3)13-14-11-15(21(4,5)6)19(25)18(12-14)24-22-16-9-7-8-10-17(16)23-24/h7-12,25H,13H2,1-6H3.
What are the key properties of 2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol?
2-(benzotriazol-2-yl)-6-tert-butyl-4-(2,2-dimethylpropyl)phenol has a molecular weight of 337.47 g/mol, XLogP of 5.01, 2 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-(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 134912355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).