2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

C20H25N3O — CID 10860291

IUPAC2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-16-9-7-6-8-15(16)21-22-23/h6-12,24H,13H2,1-5H3
InChIKeyUWKBNFNOIWGDOK-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.84
Rot. Bonds3

About 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 10860291) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID10860291
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-16-9-7-6-8-15(16)21-22-23/h6-12,24H,13H2,1-5H3
InChIKeyUWKBNFNOIWGDOK-UHFFFAOYSA-N
XLogP4.84
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.84
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-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 10860291) is 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nnc3ccccc32)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is UWKBNFNOIWGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-16-9-7-6-8-15(16)21-22-23/h6-12,24H,13H2,1-5H3.
What are the key properties of 2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(benzotriazol-1-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 323.44 g/mol, XLogP of 4.84, 3 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-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 10860291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).