2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol

C22H29N3O — CID 14093870

IUPAC2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-n2nnc3ccccc32)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-18-12-10-9-11-17(18)23-24-25/h9-14,26H,7-8H2,1-6H3
InChIKeyGWQNGSUJMUMNJV-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.50
Rot. Bonds5

About 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol

2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol (PubChem CID 14093870) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol
PubChem CID14093870
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-n2nnc3ccccc32)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-18-12-10-9-11-17(18)23-24-25/h9-14,26H,7-8H2,1-6H3
InChIKeyGWQNGSUJMUMNJV-UHFFFAOYSA-N
XLogP5.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol (CID 14093870) is 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(-n2nnc3ccccc32)c(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
The InChIKey is GWQNGSUJMUMNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-18-12-10-9-11-17(18)23-24-25/h9-14,26H,7-8H2,1-6H3.
What are the key properties of 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol?
2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol has a molecular weight of 351.49 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-4,6-bis(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 14093870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).