[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol

C13H17N3O2 — CID 62400540

IUPAC[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol
SMILESCc1ccc(C)c(OCCn2cc(CO)nn2)c1
InChIInChI=1S/C13H17N3O2/c1-10-3-4-11(2)13(7-10)18-6-5-16-8-12(9-17)14-15-16/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyRWNOCHWUTQOKJM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.47
Rot. Bonds5

About [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol

[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol (PubChem CID 62400540) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol
PubChem CID62400540
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol
SMILESCc1ccc(C)c(OCCn2cc(CO)nn2)c1
InChIInChI=1S/C13H17N3O2/c1-10-3-4-11(2)13(7-10)18-6-5-16-8-12(9-17)14-15-16/h3-4,7-8,17H,5-6,9H2,1-2H3
InChIKeyRWNOCHWUTQOKJM-UHFFFAOYSA-N
XLogP1.47
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromoethyl)-1-[2-(2,5-dimethylphenoxy)ethyl]triazole
CID 62395664
[1-[3-(4-methylphenoxy)propyl]triazol-4-yl]methanol
CID 82209490
N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62486782
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
4-(chloromethyl)-1-[2-(2-methylphenoxy)ethyl]triazole
CID 62401566
N-[[1-[2-(2-chloro-4-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62672051
2-[4-[[3-(2,5-dimethylphenoxy)propanoylamino]methyl]triazol-1-yl]acetic acid
CID 120698055
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
N-[[1-[2-(2-bromo-4-methylphenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62460693
1-[2-(2,5-dimethylphenoxy)ethyl]-5-methyltriazole-4-carboxylic acid
CID 62054182
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol (CID 62400540) is [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol is Cc1ccc(C)c(OCCn2cc(CO)nn2)c1.
What is the InChIKey of [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol?
The InChIKey is RWNOCHWUTQOKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-3-4-11(2)13(7-10)18-6-5-16-8-12(9-17)14-15-16/h3-4,7-8,17H,5-6,9H2,1-2H3.
What are the key properties of [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol?
[1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol has a molecular weight of 247.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,5-dimethylphenoxy)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 62400540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).