(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol

C10H10ClN3O — CID 178069277

IUPAC(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol
SMILESO[C@@H](Cn1ccnn1)c1ccccc1Cl
InChIInChI=1S/C10H10ClN3O/c11-9-4-2-1-3-8(9)10(15)7-14-6-5-12-13-14/h1-6,10,15H,7H2/t10-/m0/s1
InChIKeyCOUYQGCLLGEXJD-JTQLQIEISA-N
MW223.66 g/mol
LogP1.67
Rot. Bonds3

About (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol

(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol (PubChem CID 178069277) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol
PubChem CID178069277
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol
SMILESO[C@@H](Cn1ccnn1)c1ccccc1Cl
InChIInChI=1S/C10H10ClN3O/c11-9-4-2-1-3-8(9)10(15)7-14-6-5-12-13-14/h1-6,10,15H,7H2/t10-/m0/s1
InChIKeyCOUYQGCLLGEXJD-JTQLQIEISA-N
XLogP1.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2-methoxyphenyl)-2-(triazol-1-yl)ethanol
CID 178069278
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1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
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2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
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(1R)-2-bromo-1-(2-chlorophenyl)ethanol
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(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
CID 82087522
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
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1-benzyltriazole
CID 141250243
(1S)-1-(2-chlorophenyl)-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethanol
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CID 47276894

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol (CID 178069277) is (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol is O[C@@H](Cn1ccnn1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol?
The InChIKey is COUYQGCLLGEXJD-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-4-2-1-3-8(9)10(15)7-14-6-5-12-13-14/h1-6,10,15H,7H2/t10-/m0/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol?
(1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol has a molecular weight of 223.66 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-(triazol-1-yl)ethanol is sourced from PubChem (CID 178069277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).