4-[3-(4-chlorophenyl)phenoxy]-2H-triazole

C14H10ClN3O — CID 155653430

IUPAC4-[3-(4-chlorophenyl)phenoxy]-2H-triazole
SMILESClc1ccc(-c2cccc(Oc3cn[nH]n3)c2)cc1
InChIInChI=1S/C14H10ClN3O/c15-12-6-4-10(5-7-12)11-2-1-3-13(8-11)19-14-9-16-18-17-14/h1-9H,(H,16,17,18)
InChIKeyKEVMTMCGUVCZNI-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.92
Rot. Bonds3

About 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole

4-[3-(4-chlorophenyl)phenoxy]-2H-triazole (PubChem CID 155653430) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)phenoxy]-2H-triazole
PubChem CID155653430
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-[3-(4-chlorophenyl)phenoxy]-2H-triazole
SMILESClc1ccc(-c2cccc(Oc3cn[nH]n3)c2)cc1
InChIInChI=1S/C14H10ClN3O/c15-12-6-4-10(5-7-12)11-2-1-3-13(8-11)19-14-9-16-18-17-14/h1-9H,(H,16,17,18)
InChIKeyKEVMTMCGUVCZNI-UHFFFAOYSA-N
XLogP3.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole?
The IUPAC name of 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole (CID 155653430) is 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole.
What is the SMILES notation for 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole?
The canonical SMILES for 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole is Clc1ccc(-c2cccc(Oc3cn[nH]n3)c2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole?
The InChIKey is KEVMTMCGUVCZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-12-6-4-10(5-7-12)11-2-1-3-13(8-11)19-14-9-16-18-17-14/h1-9H,(H,16,17,18).
What are the key properties of 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole?
4-[3-(4-chlorophenyl)phenoxy]-2H-triazole has a molecular weight of 271.71 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)phenoxy]-2H-triazole is sourced from PubChem (CID 155653430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).