4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole

C19H29N3O — CID 112718830

IUPAC4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole
SMILESCCCOc1ccc(CCc2cn(CC)nn2)cc1C(C)(C)C
InChIInChI=1S/C19H29N3O/c1-6-12-23-18-11-9-15(13-17(18)19(3,4)5)8-10-16-14-22(7-2)21-20-16/h9,11,13-14H,6-8,10,12H2,1-5H3
InChIKeyZZWPSUPOTFUROQ-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.17
Rot. Bonds7

About 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole

4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole (PubChem CID 112718830) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole.

Molecular Properties

Compound Name4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole
PubChem CID112718830
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole
SMILESCCCOc1ccc(CCc2cn(CC)nn2)cc1C(C)(C)C
InChIInChI=1S/C19H29N3O/c1-6-12-23-18-11-9-15(13-17(18)19(3,4)5)8-10-16-14-22(7-2)21-20-16/h9,11,13-14H,6-8,10,12H2,1-5H3
InChIKeyZZWPSUPOTFUROQ-UHFFFAOYSA-N
XLogP4.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
CID 112718137
2-tert-butyl-4-(3-chloropropyl)-1-propoxybenzene
CID 83934424
1-ethyl-4-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]triazole
CID 112719331
2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83934434
2-(2-tert-butyl-4-propylphenoxy)ethanol
CID 146523971
1-ethyl-4-(2-propoxyethyl)triazole
CID 162703060
4-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]-1-ethyltriazole
CID 112717101
4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
CID 112717063
4-bromo-2-tert-butyl-1-propoxybenzene
CID 22619457
4-[2-(2,3-dimethyl-4-propoxyphenyl)propyl]-1-ethyltriazole
CID 112719366
1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine
CID 62137713
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole?
The IUPAC name of 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole (CID 112718830) is 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole.
What is the SMILES notation for 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole?
The canonical SMILES for 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole is CCCOc1ccc(CCc2cn(CC)nn2)cc1C(C)(C)C.
What is the InChIKey of 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole?
The InChIKey is ZZWPSUPOTFUROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-6-12-23-18-11-9-15(13-17(18)19(3,4)5)8-10-16-14-22(7-2)21-20-16/h9,11,13-14H,6-8,10,12H2,1-5H3.
What are the key properties of 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole?
4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole has a molecular weight of 315.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole is sourced from PubChem (CID 112718830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).