1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole

C16H17N3O — CID 6490952

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
SMILESCc1ccc(C)c(OCCn2nnc3ccccc32)c1
InChIInChI=1S/C16H17N3O/c1-12-7-8-13(2)16(11-12)20-10-9-19-15-6-4-3-5-14(15)17-18-19/h3-8,11H,9-10H2,1-2H3
InChIKeyFSXVWADNKNXEMZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole

1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole (PubChem CID 6490952) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
PubChem CID6490952
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
SMILESCc1ccc(C)c(OCCn2nnc3ccccc32)c1
InChIInChI=1S/C16H17N3O/c1-12-7-8-13(2)16(11-12)20-10-9-19-15-6-4-3-5-14(15)17-18-19/h3-8,11H,9-10H2,1-2H3
InChIKeyFSXVWADNKNXEMZ-UHFFFAOYSA-N
XLogP3.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylphenoxy)propyl]benzotriazole
CID 3161273
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953
1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
CID 101452435
1-[3-(2,3-dimethylphenoxy)propyl]benzotriazole
CID 2987716
1-(benzotriazol-1-yl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-one
CID 10665637
1-[2-(2,5-dimethylphenoxy)ethyl]-5-methyltriazole-4-carboxylic acid
CID 62054182
1-[3-(2,5-dimethylphenoxy)propyl]-2-(2-methylphenyl)benzimidazole
CID 17000668
2-[2-(2,5-dimethylphenoxy)ethylsulfanyl]-1-prop-2-ynylbenzimidazole
CID 17027950
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241
1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]butan-1-ol
CID 50745340
2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propan-2-ol
CID 19242272
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole (CID 6490952) is 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole is Cc1ccc(C)c(OCCn2nnc3ccccc32)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole?
The InChIKey is FSXVWADNKNXEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-7-8-13(2)16(11-12)20-10-9-19-15-6-4-3-5-14(15)17-18-19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole?
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole has a molecular weight of 267.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole is sourced from PubChem (CID 6490952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).