1-[1-(2-ethylphenoxy)butyl]benzotriazole

C18H21N3O — CID 10803833

IUPAC1-[1-(2-ethylphenoxy)butyl]benzotriazole
SMILESCCCC(Oc1ccccc1CC)n1nnc2ccccc21
InChIInChI=1S/C18H21N3O/c1-3-9-18(22-17-13-8-5-10-14(17)4-2)21-16-12-7-6-11-15(16)19-20-21/h5-8,10-13,18H,3-4,9H2,1-2H3
InChIKeyLHXDSNGJSJHYSK-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.37
Rot. Bonds6

About 1-[1-(2-ethylphenoxy)butyl]benzotriazole

1-[1-(2-ethylphenoxy)butyl]benzotriazole (PubChem CID 10803833) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[1-(2-ethylphenoxy)butyl]benzotriazole.

Molecular Properties

Compound Name1-[1-(2-ethylphenoxy)butyl]benzotriazole
PubChem CID10803833
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[1-(2-ethylphenoxy)butyl]benzotriazole
SMILESCCCC(Oc1ccccc1CC)n1nnc2ccccc21
InChIInChI=1S/C18H21N3O/c1-3-9-18(22-17-13-8-5-10-14(17)4-2)21-16-12-7-6-11-15(16)19-20-21/h5-8,10-13,18H,3-4,9H2,1-2H3
InChIKeyLHXDSNGJSJHYSK-UHFFFAOYSA-N
XLogP4.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-ethylphenoxy)butyl]benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-phenoxyhexyl)benzotriazole
CID 3453762
1-(1-ethoxyoctyl)benzotriazole
CID 169096001
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
1-(1,1,1-trifluoropentan-2-yl)benzotriazole
CID 70935119
1-[3-(benzotriazol-1-yl)-1-ethoxypropyl]benzotriazole
CID 3768632
N-[1-(benzotriazol-1-yl)butyl]aniline
CID 14661999
1-(benzotriazol-1-yl)propyl benzoate
CID 3780036
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
ethyl 2-(benzotriazol-1-yl)-2-ethoxyacetate
CID 3719273
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
2-(2-ethylphenoxy)pentanoic acid
CID 83038631

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylphenoxy)butyl]benzotriazole?
The IUPAC name of 1-[1-(2-ethylphenoxy)butyl]benzotriazole (CID 10803833) is 1-[1-(2-ethylphenoxy)butyl]benzotriazole.
What is the SMILES notation for 1-[1-(2-ethylphenoxy)butyl]benzotriazole?
The canonical SMILES for 1-[1-(2-ethylphenoxy)butyl]benzotriazole is CCCC(Oc1ccccc1CC)n1nnc2ccccc21.
What is the InChIKey of 1-[1-(2-ethylphenoxy)butyl]benzotriazole?
The InChIKey is LHXDSNGJSJHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-9-18(22-17-13-8-5-10-14(17)4-2)21-16-12-7-6-11-15(16)19-20-21/h5-8,10-13,18H,3-4,9H2,1-2H3.
What are the key properties of 1-[1-(2-ethylphenoxy)butyl]benzotriazole?
1-[1-(2-ethylphenoxy)butyl]benzotriazole has a molecular weight of 295.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylphenoxy)butyl]benzotriazole is sourced from PubChem (CID 10803833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).