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

C16H15N3O — CID 976119

IUPAC1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole
SMILESc1ccc(-c2ccccc2OCCn2cncn2)cc1
InChIInChI=1S/C16H15N3O/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)20-11-10-19-13-17-12-18-19/h1-9,12-13H,10-11H2
InChIKeyOLNKWHQCOQXLSS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.02
Rot. Bonds5

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

1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole (PubChem CID 976119) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole
PubChem CID976119
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole
SMILESc1ccc(-c2ccccc2OCCn2cncn2)cc1
InChIInChI=1S/C16H15N3O/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)20-11-10-19-13-17-12-18-19/h1-9,12-13H,10-11H2
InChIKeyOLNKWHQCOQXLSS-UHFFFAOYSA-N
XLogP3.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bitertanol
CID 91656
1-[2-(5-isopropyl-2-methylphenoxy)ethyl]-1H-1,2,4-triazole
CID 976107
2-[2-(1H-1,2,4-triazol-1-yl)ethoxy]benzonitrile
CID 976192
1-[2-(3-Phenoxyphenoxy)ethyl]-1,2,4-triazole
CID 976109
1-[2-(4-benzylphenoxy)ethyl]-1H-1,2,4-triazole
CID 976124
1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
CID 976289
1-[3-(4-Phenylphenoxy)propyl]-1,2,4-triazole
CID 2199160
1-{2-[2-(4-biphenylyloxy)ethoxy]ethyl}-1H-1,2,4-triazole
CID 2199683
1-(2-{2-[4-(benzyloxy)phenoxy]ethoxy}ethyl)-1H-1,2,4-triazole
CID 2199936
1-[2-[2-[3-(Trifluoromethyl)phenoxy]ethoxy]ethyl]-1,2,4-triazole
CID 2199944
1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-
CID 2199997
2-(1H-1,2,4-triazol-1-yl)ethyl 2-oxo-2H-chromene-3-carboxylate
CID 3242630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole (CID 976119) is 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole is c1ccc(-c2ccccc2OCCn2cncn2)cc1.
What is the InChIKey of 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole?
The InChIKey is OLNKWHQCOQXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-6-14(7-3-1)15-8-4-5-9-16(15)20-11-10-19-13-17-12-18-19/h1-9,12-13H,10-11H2.
What are the key properties of 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole?
1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole has a molecular weight of 265.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylphenoxy)ethyl]-1,2,4-triazole is sourced from PubChem (CID 976119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).