2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol

C22H29N3O — CID 14297369

IUPAC2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(CC(C)(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H29N3O/c1-21(2,3)13-15-11-16(14-22(4,5)6)20(26)19(12-15)25-23-17-9-7-8-10-18(17)24-25/h7-12,26H,13-14H2,1-6H3
InChIKeyIMJYRYAZVATGLW-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.30
Rot. Bonds3

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

2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol (PubChem CID 14297369) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol
PubChem CID14297369
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(CC(C)(C)C)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C22H29N3O/c1-21(2,3)13-15-11-16(14-22(4,5)6)20(26)19(12-15)25-23-17-9-7-8-10-18(17)24-25/h7-12,26H,13-14H2,1-6H3
InChIKeyIMJYRYAZVATGLW-UHFFFAOYSA-N
XLogP5.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.30
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)-4,6-bis(2,2-dimethylpropyl)phenol?
The IUPAC name of 2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol (CID 14297369) is 2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol is CC(C)(C)Cc1cc(CC(C)(C)C)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol?
The InChIKey is IMJYRYAZVATGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-21(2,3)13-15-11-16(14-22(4,5)6)20(26)19(12-15)25-23-17-9-7-8-10-18(17)24-25/h7-12,26H,13-14H2,1-6H3.
What are the key properties of 2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol?
2-(benzotriazol-2-yl)-4,6-bis(2,2-dimethylpropyl)phenol has a molecular weight of 351.49 g/mol, XLogP of 5.30, 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)-4,6-bis(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 14297369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).