5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole

C9H9ClN4O — CID 820572

IUPAC5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole
SMILESClc1ccc(OCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H9ClN4O/c10-7-1-3-8(4-2-7)15-6-5-9-11-13-14-12-9/h1-4H,5-6H2,(H,11,12,13,14)
InChIKeyIQPUUCJRMGMYET-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.47
Rot. Bonds4

About 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole

5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole (PubChem CID 820572) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole
PubChem CID820572
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole
SMILESClc1ccc(OCCc2nn[nH]n2)cc1
InChIInChI=1S/C9H9ClN4O/c10-7-1-3-8(4-2-7)15-6-5-9-11-13-14-12-9/h1-4H,5-6H2,(H,11,12,13,14)
InChIKeyIQPUUCJRMGMYET-UHFFFAOYSA-N
XLogP1.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole (CID 820572) is 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole is Clc1ccc(OCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole?
The InChIKey is IQPUUCJRMGMYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c10-7-1-3-8(4-2-7)15-6-5-9-11-13-14-12-9/h1-4H,5-6H2,(H,11,12,13,14).
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole?
5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole has a molecular weight of 224.65 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl]-2H-tetrazole is sourced from PubChem (CID 820572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).