1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole

C17H17N3O2 — CID 976289

IUPAC1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
SMILESc1ccc(COc2ccc(OCCn3cncn3)cc2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-4-15(5-3-1)12-22-17-8-6-16(7-9-17)21-11-10-20-14-18-13-19-20/h1-9,13-14H,10-12H2
InChIKeyPJVFZNGGGHCROQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds7

About 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole

1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole (PubChem CID 976289) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
PubChem CID976289
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
SMILESc1ccc(COc2ccc(OCCn3cncn3)cc2)cc1
InChIInChI=1S/C17H17N3O2/c1-2-4-15(5-3-1)12-22-17-8-6-16(7-9-17)21-11-10-20-14-18-13-19-20/h1-9,13-14H,10-12H2
InChIKeyPJVFZNGGGHCROQ-UHFFFAOYSA-N
XLogP2.94
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole (CID 976289) is 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole is c1ccc(COc2ccc(OCCn3cncn3)cc2)cc1.
What is the InChIKey of 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole?
The InChIKey is PJVFZNGGGHCROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-4-15(5-3-1)12-22-17-8-6-16(7-9-17)21-11-10-20-14-18-13-19-20/h1-9,13-14H,10-12H2.
What are the key properties of 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole?
1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole has a molecular weight of 295.34 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylmethoxyphenoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 976289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).