4-(2-tert-butylphenyl)-2H-benzotriazole

C16H17N3 — CID 154366166

IUPAC4-(2-tert-butylphenyl)-2H-benzotriazole
SMILESCC(C)(C)c1ccccc1-c1cccc2n[nH]nc12
InChIInChI=1S/C16H17N3/c1-16(2,3)13-9-5-4-7-11(13)12-8-6-10-14-15(12)18-19-17-14/h4-10H,1-3H3,(H,17,18,19)
InChIKeyQIPYXCVLZCFOFJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.92
Rot. Bonds1

About 4-(2-tert-butylphenyl)-2H-benzotriazole

4-(2-tert-butylphenyl)-2H-benzotriazole (PubChem CID 154366166) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-2H-benzotriazole.

Molecular Properties

Compound Name4-(2-tert-butylphenyl)-2H-benzotriazole
PubChem CID154366166
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-(2-tert-butylphenyl)-2H-benzotriazole
SMILESCC(C)(C)c1ccccc1-c1cccc2n[nH]nc12
InChIInChI=1S/C16H17N3/c1-16(2,3)13-9-5-4-7-11(13)12-8-6-10-14-15(12)18-19-17-14/h4-10H,1-3H3,(H,17,18,19)
InChIKeyQIPYXCVLZCFOFJ-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenyl)-2H-benzotriazole?
The IUPAC name of 4-(2-tert-butylphenyl)-2H-benzotriazole (CID 154366166) is 4-(2-tert-butylphenyl)-2H-benzotriazole.
What is the SMILES notation for 4-(2-tert-butylphenyl)-2H-benzotriazole?
The canonical SMILES for 4-(2-tert-butylphenyl)-2H-benzotriazole is CC(C)(C)c1ccccc1-c1cccc2n[nH]nc12.
What is the InChIKey of 4-(2-tert-butylphenyl)-2H-benzotriazole?
The InChIKey is QIPYXCVLZCFOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-16(2,3)13-9-5-4-7-11(13)12-8-6-10-14-15(12)18-19-17-14/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of 4-(2-tert-butylphenyl)-2H-benzotriazole?
4-(2-tert-butylphenyl)-2H-benzotriazole has a molecular weight of 251.33 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenyl)-2H-benzotriazole is sourced from PubChem (CID 154366166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).