2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C16H19Cl2N3O — CID 53378218

IUPAC2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cn1cc(C2CCCCC2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-12-6-7-13(14(18)8-12)16(22)10-21-9-15(19-20-21)11-4-2-1-3-5-11/h6-9,11,16,22H,1-5,10H2
InChIKeyQQLQMLIMLXODOV-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.37
Rot. Bonds4

About 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 53378218) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID53378218
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESOC(Cn1cc(C2CCCCC2)nn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-12-6-7-13(14(18)8-12)16(22)10-21-9-15(19-20-21)11-4-2-1-3-5-11/h6-9,11,16,22H,1-5,10H2
InChIKeyQQLQMLIMLXODOV-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 53378218) is 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is OC(Cn1cc(C2CCCCC2)nn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is QQLQMLIMLXODOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c17-12-6-7-13(14(18)8-12)16(22)10-21-9-15(19-20-21)11-4-2-1-3-5-11/h6-9,11,16,22H,1-5,10H2.
What are the key properties of 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 340.25 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyltriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 53378218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).