5-(4-chlorophenoxy)-1-phenyltetrazole

C13H9ClN4O — CID 718858

IUPAC5-(4-chlorophenoxy)-1-phenyltetrazole
SMILESClc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H9ClN4O/c14-10-6-8-12(9-7-10)19-13-15-16-17-18(13)11-4-2-1-3-5-11/h1-9H
InChIKeyJXAGPFSGJKRKBY-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.11
Rot. Bonds3

About 5-(4-chlorophenoxy)-1-phenyltetrazole

5-(4-chlorophenoxy)-1-phenyltetrazole (PubChem CID 718858) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-1-phenyltetrazole.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-1-phenyltetrazole
PubChem CID718858
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name5-(4-chlorophenoxy)-1-phenyltetrazole
SMILESClc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C13H9ClN4O/c14-10-6-8-12(9-7-10)19-13-15-16-17-18(13)11-4-2-1-3-5-11/h1-9H
InChIKeyJXAGPFSGJKRKBY-UHFFFAOYSA-N
XLogP3.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-1-phenyltetrazole?
The IUPAC name of 5-(4-chlorophenoxy)-1-phenyltetrazole (CID 718858) is 5-(4-chlorophenoxy)-1-phenyltetrazole.
What is the SMILES notation for 5-(4-chlorophenoxy)-1-phenyltetrazole?
The canonical SMILES for 5-(4-chlorophenoxy)-1-phenyltetrazole is Clc1ccc(Oc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenoxy)-1-phenyltetrazole?
The InChIKey is JXAGPFSGJKRKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-10-6-8-12(9-7-10)19-13-15-16-17-18(13)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 5-(4-chlorophenoxy)-1-phenyltetrazole?
5-(4-chlorophenoxy)-1-phenyltetrazole has a molecular weight of 272.70 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-1-phenyltetrazole is sourced from PubChem (CID 718858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).