4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole

C15H21N3O — CID 112719523

IUPAC4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
SMILESCCOc1ccc(CCc2cn(C)nn2)c(CC)c1
InChIInChI=1S/C15H21N3O/c1-4-12-10-15(19-5-2)9-7-13(12)6-8-14-11-18(3)17-16-14/h7,9-11H,4-6,8H2,1-3H3
InChIKeyRNNIJNBRDZYASV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds6

About 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole

4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole (PubChem CID 112719523) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
PubChem CID112719523
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole
SMILESCCOc1ccc(CCc2cn(C)nn2)c(CC)c1
InChIInChI=1S/C15H21N3O/c1-4-12-10-15(19-5-2)9-7-13(12)6-8-14-11-18(3)17-16-14/h7,9-11H,4-6,8H2,1-3H3
InChIKeyRNNIJNBRDZYASV-UHFFFAOYSA-N
XLogP2.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,5-diethylphenyl)ethyl]-1-methyltriazole
CID 112717080
1-methyl-4-[2-(2,3,4-triethoxyphenyl)ethyl]triazole
CID 112718810
4-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]-1-methyltriazole
CID 112719478
1-(3-bromopropyl)-4-ethoxy-2-ethylbenzene
CID 83941643
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]-1-methyltriazole
CID 112719344
4-[2-(4-ethoxy-2,3,6-trimethylphenyl)ethyl]-1-methyltriazole
CID 112719321
4-[2-(4-ethoxyphenyl)ethyl]-1-[2-(1-methyltriazol-4-yl)ethyl]piperidine
CID 138037459
methyl 3-(4-ethoxy-2-ethylphenyl)propanoate
CID 82552040
4-(4-ethoxy-2-ethylphenyl)butanenitrile
CID 83941707
ethane;1-methyl-4-propyltriazole
CID 168923376
ethane;4-ethyl-1-methyltriazole
CID 143593274

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole?
The IUPAC name of 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole (CID 112719523) is 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole.
What is the SMILES notation for 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole?
The canonical SMILES for 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole is CCOc1ccc(CCc2cn(C)nn2)c(CC)c1.
What is the InChIKey of 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole?
The InChIKey is RNNIJNBRDZYASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-12-10-15(19-5-2)9-7-13(12)6-8-14-11-18(3)17-16-14/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole?
4-[2-(4-ethoxy-2-ethylphenyl)ethyl]-1-methyltriazole has a molecular weight of 259.35 g/mol, XLogP of 2.56, 6 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)ethyl]-1-methyltriazole is sourced from PubChem (CID 112719523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).