4-tert-butyl-2-(tetrazol-1-yl)phenol

C11H14N4O — CID 121300516

IUPAC4-tert-butyl-2-(tetrazol-1-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(-n2cnnn2)c1
InChIInChI=1S/C11H14N4O/c1-11(2,3)8-4-5-10(16)9(6-8)15-7-12-13-14-15/h4-7,16H,1-3H3
InChIKeyYMEGTEGURRPZJT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.67
Rot. Bonds1

About 4-tert-butyl-2-(tetrazol-1-yl)phenol

4-tert-butyl-2-(tetrazol-1-yl)phenol (PubChem CID 121300516) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-tert-butyl-2-(tetrazol-1-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(tetrazol-1-yl)phenol
PubChem CID121300516
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-tert-butyl-2-(tetrazol-1-yl)phenol
SMILESCC(C)(C)c1ccc(O)c(-n2cnnn2)c1
InChIInChI=1S/C11H14N4O/c1-11(2,3)8-4-5-10(16)9(6-8)15-7-12-13-14-15/h4-7,16H,1-3H3
InChIKeyYMEGTEGURRPZJT-UHFFFAOYSA-N
XLogP1.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(tetrazol-1-yl)phenol?
The IUPAC name of 4-tert-butyl-2-(tetrazol-1-yl)phenol (CID 121300516) is 4-tert-butyl-2-(tetrazol-1-yl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(tetrazol-1-yl)phenol?
The canonical SMILES for 4-tert-butyl-2-(tetrazol-1-yl)phenol is CC(C)(C)c1ccc(O)c(-n2cnnn2)c1.
What is the InChIKey of 4-tert-butyl-2-(tetrazol-1-yl)phenol?
The InChIKey is YMEGTEGURRPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(2,3)8-4-5-10(16)9(6-8)15-7-12-13-14-15/h4-7,16H,1-3H3.
What are the key properties of 4-tert-butyl-2-(tetrazol-1-yl)phenol?
4-tert-butyl-2-(tetrazol-1-yl)phenol has a molecular weight of 218.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(tetrazol-1-yl)phenol is sourced from PubChem (CID 121300516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).