2-(benzotriazol-1-yl)-5-tert-butylphenol

C16H17N3O — CID 14993713

IUPAC2-(benzotriazol-1-yl)-5-tert-butylphenol
SMILESCC(C)(C)c1ccc(-n2nnc3ccccc32)c(O)c1
InChIInChI=1S/C16H17N3O/c1-16(2,3)11-8-9-14(15(20)10-11)19-13-7-5-4-6-12(13)17-18-19/h4-10,20H,1-3H3
InChIKeyBOTUNJGHUXDCAE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds1

About 2-(benzotriazol-1-yl)-5-tert-butylphenol

2-(benzotriazol-1-yl)-5-tert-butylphenol (PubChem CID 14993713) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-5-tert-butylphenol.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-5-tert-butylphenol
PubChem CID14993713
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(benzotriazol-1-yl)-5-tert-butylphenol
SMILESCC(C)(C)c1ccc(-n2nnc3ccccc32)c(O)c1
InChIInChI=1S/C16H17N3O/c1-16(2,3)11-8-9-14(15(20)10-11)19-13-7-5-4-6-12(13)17-18-19/h4-10,20H,1-3H3
InChIKeyBOTUNJGHUXDCAE-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
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)-5-tert-butylphenol?
The IUPAC name of 2-(benzotriazol-1-yl)-5-tert-butylphenol (CID 14993713) is 2-(benzotriazol-1-yl)-5-tert-butylphenol.
What is the SMILES notation for 2-(benzotriazol-1-yl)-5-tert-butylphenol?
The canonical SMILES for 2-(benzotriazol-1-yl)-5-tert-butylphenol is CC(C)(C)c1ccc(-n2nnc3ccccc32)c(O)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-5-tert-butylphenol?
The InChIKey is BOTUNJGHUXDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-14(15(20)10-11)19-13-7-5-4-6-12(13)17-18-19/h4-10,20H,1-3H3.
What are the key properties of 2-(benzotriazol-1-yl)-5-tert-butylphenol?
2-(benzotriazol-1-yl)-5-tert-butylphenol has a molecular weight of 267.33 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-5-tert-butylphenol is sourced from PubChem (CID 14993713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).