2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol

C12H13Cl2N3O — CID 107309599

IUPAC2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O/c1-12(2,18)10-7-17(16-15-10)6-8-4-3-5-9(13)11(8)14/h3-5,7,18H,6H2,1-2H3
InChIKeyIIJQMLKZZWSTOB-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol

2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol (PubChem CID 107309599) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol
PubChem CID107309599
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(Cc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C12H13Cl2N3O/c1-12(2,18)10-7-17(16-15-10)6-8-4-3-5-9(13)11(8)14/h3-5,7,18H,6H2,1-2H3
InChIKeyIIJQMLKZZWSTOB-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 113461364
[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 107309596
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 102031317
2-[1-[2-(2,3-difluorophenyl)ethyl]triazol-4-yl]propan-2-ol
CID 138056433
5-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 107309540
1-[4-(2-hydroxypropan-2-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 114496925
N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107310253
2-[1-[(3-bromo-4-fluorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 113461340
2-[1-[(1R,2S)-2-[(2-chlorophenyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128991574
1-(2,3-dichlorophenyl)-3,3-difluorobutan-2-one
CID 130757125
(1-benzyltriazol-4-yl)-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 86903514
1-(2,3-dichlorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 107307629

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol (CID 107309599) is 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(Cc2cccc(Cl)c2Cl)nn1.
What is the InChIKey of 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol?
The InChIKey is IIJQMLKZZWSTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-12(2,18)10-7-17(16-15-10)6-8-4-3-5-9(13)11(8)14/h3-5,7,18H,6H2,1-2H3.
What are the key properties of 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol?
2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol has a molecular weight of 286.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 107309599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).