4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol

C13H17N3O2 — CID 112717063

IUPAC4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
SMILESCCn1cc(CCc2ccc(O)c(CO)c2)nn1
InChIInChI=1S/C13H17N3O2/c1-2-16-8-12(14-15-16)5-3-10-4-6-13(18)11(7-10)9-17/h4,6-8,17-18H,2-3,5,9H2,1H3
InChIKeyKJTLQFVGLSODTG-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.28
Rot. Bonds5

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

4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol (PubChem CID 112717063) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
PubChem CID112717063
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
SMILESCCn1cc(CCc2ccc(O)c(CO)c2)nn1
InChIInChI=1S/C13H17N3O2/c1-2-16-8-12(14-15-16)5-3-10-4-6-13(18)11(7-10)9-17/h4,6-8,17-18H,2-3,5,9H2,1H3
InChIKeyKJTLQFVGLSODTG-UHFFFAOYSA-N
XLogP1.28
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol 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

2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol
CID 112717284
4-[1-(1-ethyltriazol-4-yl)butan-2-yl]-2-(hydroxymethyl)phenol
CID 112717061
4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
CID 112718137
2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol
CID 112717418
4-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]-1-ethyltriazole
CID 112718830
2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
CID 112719041
4-[2-[4-[(3,4-dihydroxyphenyl)methyl]triazol-1-yl]ethyl]benzene-1,2-diol
CID 132555239
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
bis(1,4-diethyltriazole);ethane
CID 160569546
4-[2-(2,5-diethylphenyl)butyl]-1-ethyltriazole
CID 112717076
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol?
The IUPAC name of 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol (CID 112717063) is 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol is CCn1cc(CCc2ccc(O)c(CO)c2)nn1.
What is the InChIKey of 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol?
The InChIKey is KJTLQFVGLSODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-16-8-12(14-15-16)5-3-10-4-6-13(18)11(7-10)9-17/h4,6-8,17-18H,2-3,5,9H2,1H3.
What are the key properties of 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol?
4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol has a molecular weight of 247.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol is sourced from PubChem (CID 112717063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).