2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol

C13H17N3O — CID 112717284

IUPAC2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol
SMILESCCn1cc(CCc2cc(C)ccc2O)nn1
InChIInChI=1S/C13H17N3O/c1-3-16-9-12(14-15-16)6-5-11-8-10(2)4-7-13(11)17/h4,7-9,17H,3,5-6H2,1-2H3
InChIKeySKEKLYMMKPAJQW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol

2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol (PubChem CID 112717284) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol
PubChem CID112717284
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol
SMILESCCn1cc(CCc2cc(C)ccc2O)nn1
InChIInChI=1S/C13H17N3O/c1-3-16-9-12(14-15-16)6-5-11-8-10(2)4-7-13(11)17/h4,7-9,17H,3,5-6H2,1-2H3
InChIKeySKEKLYMMKPAJQW-UHFFFAOYSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
CID 112717063
2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol
CID 112717418
1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
CID 112719041
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
4-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]triazole
CID 62395142
4-[2-(4-chloro-2,5-dimethoxyphenyl)ethyl]-1-ethyltriazole
CID 112719662
4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
CID 112718137
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
3-[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]propanoic acid
CID 82369441
4-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-ethyltriazole
CID 112717208
bis(1,4-diethyltriazole);ethane
CID 160569546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol?
The IUPAC name of 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol (CID 112717284) is 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol?
The canonical SMILES for 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol is CCn1cc(CCc2cc(C)ccc2O)nn1.
What is the InChIKey of 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol?
The InChIKey is SKEKLYMMKPAJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-9-12(14-15-16)6-5-11-8-10(2)4-7-13(11)17/h4,7-9,17H,3,5-6H2,1-2H3.
What are the key properties of 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol?
2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol has a molecular weight of 231.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol is sourced from PubChem (CID 112717284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).