3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol

C14H19N3O — CID 112718351

IUPAC3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
SMILESCCC(Cc1cn(CC)nn1)c1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-3-11(12-6-5-7-14(18)9-12)8-13-10-17(4-2)16-15-13/h5-7,9-11,18H,3-4,8H2,1-2H3
InChIKeyYZXWLUPWEPDMQM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.74
Rot. Bonds5

About 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol

3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol (PubChem CID 112718351) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol.

Molecular Properties

Compound Name3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
PubChem CID112718351
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
SMILESCCC(Cc1cn(CC)nn1)c1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-3-11(12-6-5-7-14(18)9-12)8-13-10-17(4-2)16-15-13/h5-7,9-11,18H,3-4,8H2,1-2H3
InChIKeyYZXWLUPWEPDMQM-UHFFFAOYSA-N
XLogP2.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[2-(3-methylsulfonylphenyl)butyl]triazole
CID 112717690
1-ethyl-4-[2-(3-ethylsulfonylphenyl)butyl]triazole
CID 112717704
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
4-[2-(3-tert-butyl-4-methylphenyl)butyl]-1-ethyltriazole
CID 112719294
1-ethyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)butyl]triazole
CID 112718565
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-1-ethyltriazole
CID 112717193
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
(2S)-1-(1-ethyltriazol-4-yl)propan-2-amine
CID 125458566
1-ethyl-4-[[3-(2-methylpropyl)phenyl]methyl]triazole
CID 126551634
1-ethyl-4-[2-(3-propylsulfonylphenyl)propyl]triazole
CID 112717717
4-[2-(4-ethoxy-2-ethylphenyl)butyl]-1-ethyltriazole
CID 112719520
4-[1-(1-ethyltriazol-4-yl)propan-2-yl]aniline
CID 112718097

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol?
The IUPAC name of 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol (CID 112718351) is 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol.
What is the SMILES notation for 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol?
The canonical SMILES for 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol is CCC(Cc1cn(CC)nn1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol?
The InChIKey is YZXWLUPWEPDMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-11(12-6-5-7-14(18)9-12)8-13-10-17(4-2)16-15-13/h5-7,9-11,18H,3-4,8H2,1-2H3.
What are the key properties of 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol?
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol is sourced from PubChem (CID 112718351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).