4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole

C18H27N3O — CID 112719520

IUPAC4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
SMILESCCOc1ccc(C(CC)Cc2cn(CC)nn2)c(CC)c1
InChIInChI=1S/C18H27N3O/c1-5-14(11-16-13-21(7-3)20-19-16)18-10-9-17(22-8-4)12-15(18)6-2/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyIMLTYUJOXREQER-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.00
Rot. Bonds8

About 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole

4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole (PubChem CID 112719520) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
PubChem CID112719520
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
SMILESCCOc1ccc(C(CC)Cc2cn(CC)nn2)c(CC)c1
InChIInChI=1S/C18H27N3O/c1-5-14(11-16-13-21(7-3)20-19-16)18-10-9-17(22-8-4)12-15(18)6-2/h9-10,12-14H,5-8,11H2,1-4H3
InChIKeyIMLTYUJOXREQER-UHFFFAOYSA-N
XLogP4.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
1-ethyl-4-[2-(4-methoxy-2,5-dimethylphenyl)butyl]triazole
CID 112717955
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351
4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
CID 112719523
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole
CID 112717704
1-ethyl-4-[2-(3-methylsulfonylphenyl)butyl]triazole
CID 112717690
1-ethyl-4-[2-(2-methyl-4-phenoxyphenyl)propyl]triazole
CID 112719120
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
4-[2-(2-ethoxy-5-fluorophenyl)propyl]-1-ethyltriazole
CID 112719733

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole?
The IUPAC name of 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole (CID 112719520) is 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole is CCOc1ccc(C(CC)Cc2cn(CC)nn2)c(CC)c1.
What is the InChIKey of 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole?
The InChIKey is IMLTYUJOXREQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-5-14(11-16-13-21(7-3)20-19-16)18-10-9-17(22-8-4)12-15(18)6-2/h9-10,12-14H,5-8,11H2,1-4H3.
What are the key properties of 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole?
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole has a molecular weight of 301.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole is sourced from PubChem (CID 112719520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).