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

C8H7ClN4O — CID 2990497

IUPAC5-[(4-chlorophenoxy)methyl]-2H-tetrazole
SMILESClc1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyLAEFYQOLGWVFTE-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.43
Rot. Bonds3

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

5-[(4-chlorophenoxy)methyl]-2H-tetrazole (PubChem CID 2990497) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-2H-tetrazole
PubChem CID2990497
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name5-[(4-chlorophenoxy)methyl]-2H-tetrazole
SMILESClc1ccc(OCc2nn[nH]n2)cc1
InChIInChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyLAEFYQOLGWVFTE-UHFFFAOYSA-N
XLogP1.43
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-2H-tetrazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-2H-tetrazole (CID 2990497) is 5-[(4-chlorophenoxy)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-2H-tetrazole is Clc1ccc(OCc2nn[nH]n2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-2H-tetrazole?
The InChIKey is LAEFYQOLGWVFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-2H-tetrazole?
5-[(4-chlorophenoxy)methyl]-2H-tetrazole has a molecular weight of 210.62 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-2H-tetrazole is sourced from PubChem (CID 2990497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).