4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole

C17H25N3O — CID 112718941

IUPAC4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole
SMILESCCCOc1ccc(C(C)(C)C)cc1CCc1cn[nH]n1
InChIInChI=1S/C17H25N3O/c1-5-10-21-16-9-7-14(17(2,3)4)11-13(16)6-8-15-12-18-20-19-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,18,19,20)
InChIKeyZWOQZGLTCKLGRS-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.68
Rot. Bonds6

About 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole

4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole (PubChem CID 112718941) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole
PubChem CID112718941
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole
SMILESCCCOc1ccc(C(C)(C)C)cc1CCc1cn[nH]n1
InChIInChI=1S/C17H25N3O/c1-5-10-21-16-9-7-14(17(2,3)4)11-13(16)6-8-15-12-18-20-19-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,18,19,20)
InChIKeyZWOQZGLTCKLGRS-UHFFFAOYSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-fluoro-2-propoxyphenyl)ethyl]-2H-triazole
CID 112719741
4-tert-butyl-2-[(Z)-pent-3-enyl]-1-propoxybenzene
CID 83935642
5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
3-[2-propoxy-5-(trifluoromethyl)phenyl]propane-1-thiol
CID 83921271
5-[2-propoxy-5-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 83921363
4-tert-butyl-1-ethoxy-2-(3-fluoropropyl)benzene
CID 83935474
5-tert-butyl-2-propoxybenzenesulfonyl chloride
CID 2757334
1-(5-tert-butyl-2-propoxyphenyl)-2-methylheptan-4-one
CID 83935602
4-[2-(2-ethyl-4-propoxyphenyl)propyl]-2H-triazole
CID 112719530
1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
4-(5-tert-butyl-2-ethoxyphenyl)butan-1-amine
CID 83935499
bis(4-propoxy-3-propylphenyl)silane
CID 159991250

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole?
The IUPAC name of 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole (CID 112718941) is 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole.
What is the SMILES notation for 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole?
The canonical SMILES for 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole is CCCOc1ccc(C(C)(C)C)cc1CCc1cn[nH]n1.
What is the InChIKey of 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole?
The InChIKey is ZWOQZGLTCKLGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-10-21-16-9-7-14(17(2,3)4)11-13(16)6-8-15-12-18-20-19-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,18,19,20).
What are the key properties of 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole?
4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole has a molecular weight of 287.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole is sourced from PubChem (CID 112718941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).