(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol

C11H11Cl2N3O2 — CID 129373193

IUPAC(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
SMILESOCc1cn(C[C@H](O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C11H11Cl2N3O2/c12-7-1-2-9(10(13)3-7)11(18)5-16-4-8(6-17)14-15-16/h1-4,11,17-18H,5-6H2/t11-/m0/s1
InChIKeyCSAIZJBDYNGTQY-NSHDSACASA-N
MW288.13 g/mol
LogP1.81
Rot. Bonds4

About (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol

(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol (PubChem CID 129373193) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
PubChem CID129373193
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
SMILESOCc1cn(C[C@H](O)c2ccc(Cl)cc2Cl)nn1
InChIInChI=1S/C11H11Cl2N3O2/c12-7-1-2-9(10(13)3-7)11(18)5-16-4-8(6-17)14-15-16/h1-4,11,17-18H,5-6H2/t11-/m0/s1
InChIKeyCSAIZJBDYNGTQY-NSHDSACASA-N
XLogP1.81
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]triazol-4-yl]methanol
CID 71456817
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 65318810
[1-[2-(2,5-dichlorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 55067276
2-[4-(hydroxymethyl)triazol-1-yl]-1-(4-methoxyphenyl)ethanol
CID 122241163
2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53377790
2-[4-[[bis(2-hydroxyethyl)amino]methyl]triazol-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 167932682
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
[1-[1-(2,4-dichlorophenyl)-2-(2-methoxy-4-nitroimidazol-1-yl)ethyl]triazol-4-yl]methanol
CID 71618706
[1-[(2S)-2-amino-2-phenylethyl]triazol-4-yl]methanol
CID 129494851

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol (CID 129373193) is (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol is OCc1cn(C[C@H](O)c2ccc(Cl)cc2Cl)nn1.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol?
The InChIKey is CSAIZJBDYNGTQY-NSHDSACASA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-7-1-2-9(10(13)3-7)11(18)5-16-4-8(6-17)14-15-16/h1-4,11,17-18H,5-6H2/t11-/m0/s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol?
(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol has a molecular weight of 288.13 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol is sourced from PubChem (CID 129373193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).