4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole

C16H23N3O — CID 112719530

IUPAC4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole
SMILESCCCOc1ccc(C(C)Cc2cn[nH]n2)c(CC)c1
InChIInChI=1S/C16H23N3O/c1-4-8-20-15-6-7-16(13(5-2)10-15)12(3)9-14-11-17-19-18-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,17,18,19)
InChIKeyQFUFYGGIHPHCLN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.50
Rot. Bonds7

About 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole

4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole (PubChem CID 112719530) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole
PubChem CID112719530
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole
SMILESCCCOc1ccc(C(C)Cc2cn[nH]n2)c(CC)c1
InChIInChI=1S/C16H23N3O/c1-4-8-20-15-6-7-16(13(5-2)10-15)12(3)9-14-11-17-19-18-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,17,18,19)
InChIKeyQFUFYGGIHPHCLN-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methoxy-2-methylphenyl)propyl]-2H-triazole
CID 112719037
5-(2-ethyl-4-propoxyphenyl)hexane-2,3-diol
CID 83941886
2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83941785
3-(2-ethyl-4-propoxyphenyl)pentyl thiocyanate
CID 112719526
4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole
CID 112718941
1-(4-bromobutan-2-yl)-2-ethyl-4-methoxybenzene
CID 83941514
4-(4-ethoxy-2-ethylphenyl)pentanenitrile
CID 83941706
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
1-(2,4-dipropoxyphenyl)ethanol
CID 82263776
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
1-(2-ethyl-4-propan-2-yloxyphenyl)ethanamine
CID 82267415

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole?
The IUPAC name of 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole (CID 112719530) is 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole.
What is the SMILES notation for 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole?
The canonical SMILES for 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole is CCCOc1ccc(C(C)Cc2cn[nH]n2)c(CC)c1.
What is the InChIKey of 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole?
The InChIKey is QFUFYGGIHPHCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-8-20-15-6-7-16(13(5-2)10-15)12(3)9-14-11-17-19-18-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole?
4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole has a molecular weight of 273.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole is sourced from PubChem (CID 112719530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).