2-[3-(2-methylphenyl)triazol-4-yl]ethanol

C11H13N3O — CID 117167047

IUPAC2-[3-(2-methylphenyl)triazol-4-yl]ethanol
SMILESCc1ccccc1-n1nncc1CCO
InChIInChI=1S/C11H13N3O/c1-9-4-2-3-5-11(9)14-10(6-7-15)8-12-13-14/h2-5,8,15H,6-7H2,1H3
InChIKeyOJKIZIZJCOKKLV-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.11
Rot. Bonds3

About 2-[3-(2-methylphenyl)triazol-4-yl]ethanol

2-[3-(2-methylphenyl)triazol-4-yl]ethanol (PubChem CID 117167047) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[3-(2-methylphenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-methylphenyl)triazol-4-yl]ethanol
PubChem CID117167047
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[3-(2-methylphenyl)triazol-4-yl]ethanol
SMILESCc1ccccc1-n1nncc1CCO
InChIInChI=1S/C11H13N3O/c1-9-4-2-3-5-11(9)14-10(6-7-15)8-12-13-14/h2-5,8,15H,6-7H2,1H3
InChIKeyOJKIZIZJCOKKLV-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-methylphenyl)triazol-4-yl]acetic acid
CID 43671526
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
2,2-dimethyl-3-[3-(2-methylphenyl)triazol-4-yl]propanoic acid
CID 117167171
2-[3-(4-bromophenyl)triazol-4-yl]ethanol
CID 117167313
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
3-[3-(2-bromophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167152
[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436357
2-[3-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethanol
CID 116817752
N-[[3-(2-bromo-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451806
1-(2-bromophenyl)-5-(chloromethyl)triazole
CID 107450875
3-[3-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 117167147
3-[3-(2-hydroxyphenyl)triazol-4-yl]-2,2-dimethylpropanoic acid
CID 117167179

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[3-(2-methylphenyl)triazol-4-yl]ethanol (CID 117167047) is 2-[3-(2-methylphenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[3-(2-methylphenyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[3-(2-methylphenyl)triazol-4-yl]ethanol is Cc1ccccc1-n1nncc1CCO.
What is the InChIKey of 2-[3-(2-methylphenyl)triazol-4-yl]ethanol?
The InChIKey is OJKIZIZJCOKKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-4-2-3-5-11(9)14-10(6-7-15)8-12-13-14/h2-5,8,15H,6-7H2,1H3.
What are the key properties of 2-[3-(2-methylphenyl)triazol-4-yl]ethanol?
2-[3-(2-methylphenyl)triazol-4-yl]ethanol has a molecular weight of 203.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylphenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 117167047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).