1-(4-methylphenyl)-2-(triazol-2-yl)ethanol

C11H13N3O — CID 6481688

IUPAC1-(4-methylphenyl)-2-(triazol-2-yl)ethanol
SMILESCc1ccc(C(O)Cn2nccn2)cc1
InChIInChI=1S/C11H13N3O/c1-9-2-4-10(5-3-9)11(15)8-14-12-6-7-13-14/h2-7,11,15H,8H2,1H3
InChIKeyLDEOQAGKYZUTIQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.32
Rot. Bonds3

About 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol

1-(4-methylphenyl)-2-(triazol-2-yl)ethanol (PubChem CID 6481688) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(triazol-2-yl)ethanol
PubChem CID6481688
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-(4-methylphenyl)-2-(triazol-2-yl)ethanol
SMILESCc1ccc(C(O)Cn2nccn2)cc1
InChIInChI=1S/C11H13N3O/c1-9-2-4-10(5-3-9)11(15)8-14-12-6-7-13-14/h2-7,11,15H,8H2,1H3
InChIKeyLDEOQAGKYZUTIQ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol (CID 6481688) is 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol is Cc1ccc(C(O)Cn2nccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol?
The InChIKey is LDEOQAGKYZUTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-2-4-10(5-3-9)11(15)8-14-12-6-7-13-14/h2-7,11,15H,8H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol?
1-(4-methylphenyl)-2-(triazol-2-yl)ethanol has a molecular weight of 203.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(triazol-2-yl)ethanol is sourced from PubChem (CID 6481688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).