4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole

C16H23N3O — CID 112719321

IUPAC4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole
SMILESCCOc1cc(C)c(CCc2cn(C)nn2)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-6-20-16-9-11(2)15(12(3)13(16)4)8-7-14-10-19(5)18-17-14/h9-10H,6-8H2,1-5H3
InChIKeyZSCJZUAIXXVKRQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.92
Rot. Bonds5

About 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole

4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole (PubChem CID 112719321) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole
PubChem CID112719321
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole
SMILESCCOc1cc(C)c(CCc2cn(C)nn2)c(C)c1C
InChIInChI=1S/C16H23N3O/c1-6-20-16-9-11(2)15(12(3)13(16)4)8-7-14-10-19(5)18-17-14/h9-10H,6-8H2,1-5H3
InChIKeyZSCJZUAIXXVKRQ-UHFFFAOYSA-N
XLogP2.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]triazole
CID 112719331
1-methyl-4-[2-(2,3,4-triethoxyphenyl)ethyl]triazole
CID 112718810
4-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]-1-methyltriazole
CID 112719478
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole
CID 112719344
4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
CID 112719523
5-(4-ethoxy-2,3,6-trimethylphenyl)pentan-2-one
CID 83939411
ethane;1-methyl-4-propyltriazole
CID 168923376
5-(4-ethoxy-2,3,6-trimethylphenyl)pentane-2,3-diol
CID 83939528
4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
[3-ethoxy-4-[(1-methyltriazol-4-yl)methoxy]phenyl]methanamine
CID 107040783
4-[2-(1-methyltriazol-4-yl)ethyl]pyridin-2-amine
CID 107054471
4-[2-(4-fluoro-3-methylphenyl)ethyl]-1-methyltriazole
CID 112718489

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole?
The IUPAC name of 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole (CID 112719321) is 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole.
What is the SMILES notation for 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole?
The canonical SMILES for 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole is CCOc1cc(C)c(CCc2cn(C)nn2)c(C)c1C.
What is the InChIKey of 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole?
The InChIKey is ZSCJZUAIXXVKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-6-20-16-9-11(2)15(12(3)13(16)4)8-7-14-10-19(5)18-17-14/h9-10H,6-8H2,1-5H3.
What are the key properties of 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole?
4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole has a molecular weight of 273.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole is sourced from PubChem (CID 112719321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).