2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol

C13H17N3O — CID 112717418

IUPAC2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol
SMILESCCn1cc(CCc2c(C)cccc2O)nn1
InChIInChI=1S/C13H17N3O/c1-3-16-9-11(14-15-16)7-8-12-10(2)5-4-6-13(12)17/h4-6,9,17H,3,7-8H2,1-2H3
InChIKeyGJOZWTILZCWRBN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol

2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol (PubChem CID 112717418) 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]-3-methylphenol.

Molecular Properties

Compound Name2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol
PubChem CID112717418
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol
SMILESCCn1cc(CCc2c(C)cccc2O)nn1
InChIInChI=1S/C13H17N3O/c1-3-16-9-11(14-15-16)7-8-12-10(2)5-4-6-13(12)17/h4-6,9,17H,3,7-8H2,1-2H3
InChIKeyGJOZWTILZCWRBN-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

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Related Compounds

2-[2-(1-ethyltriazol-4-yl)ethyl]-4-methylphenol
CID 112717284
4-[2-(1-ethyltriazol-4-yl)ethyl]-2-(hydroxymethyl)phenol
CID 112717063
2-butyl-3-methylphenol
CID 174788119
1-ethyl-4-[2-(4-methoxy-2-methylphenyl)ethyl]triazole
CID 112719041
1-ethyl-4-[2-(2,3,6-trimethyl-4-propoxyphenyl)ethyl]triazole
CID 112719331
1-ethyl-4-[2-(5-ethylthiophen-2-yl)ethyl]triazole
CID 112718225
4-[2-(4-tert-butylphenyl)ethyl]-1-ethyltriazole
CID 112718137
bis(1,4-diethyltriazole);ethane
CID 160569546
2-hexyl-3-methylphenol
CID 28322
2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
4-(bromomethyl)-1-ethyltriazole
CID 62400485
3-[1-(1-ethyltriazol-4-yl)butan-2-yl]phenol
CID 112718351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol?
The IUPAC name of 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol (CID 112717418) is 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol.
What is the SMILES notation for 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol?
The canonical SMILES for 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol is CCn1cc(CCc2c(C)cccc2O)nn1.
What is the InChIKey of 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol?
The InChIKey is GJOZWTILZCWRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-9-11(14-15-16)7-8-12-10(2)5-4-6-13(12)17/h4-6,9,17H,3,7-8H2,1-2H3.
What are the key properties of 2-[2-(1-ethyltriazol-4-yl)ethyl]-3-methylphenol?
2-[2-(1-ethyltriazol-4-yl)ethyl]-3-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]-3-methylphenol is sourced from PubChem (CID 112717418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).