2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol

C10H10ClN3O — CID 171977591

IUPAC2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C10H10ClN3O/c11-9-3-1-8(2-4-9)5-10(15)14-7-12-6-13-14/h1-4,6-7,10,15H,5H2
InChIKeyPSVLGFCXQZMZII-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol

2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol (PubChem CID 171977591) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol
PubChem CID171977591
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C10H10ClN3O/c11-9-3-1-8(2-4-9)5-10(15)14-7-12-6-13-14/h1-4,6-7,10,15H,5H2
InChIKeyPSVLGFCXQZMZII-UHFFFAOYSA-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

(2S,3S)-1-(4-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 101425684
(3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;(3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 6436297
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;copper
CID 67683151
(2S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-one
CID 12925563
1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole
CID 4210279
1-(4-chlorophenyl)-3-phenyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 13259212
1-[1-(4-chlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-yl]-1,2,4-triazole
CID 12893708
1-(4-chlorophenyl)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 22158412
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34947799
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
1-(4-chlorophenyl)-3-[(4-fluorophenoxy)methyl]-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 23042742
3-(4-chlorophenoxy)-2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 139595204

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol (CID 171977591) is 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol is OC(Cc1ccc(Cl)cc1)n1cncn1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is PSVLGFCXQZMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-9-3-1-8(2-4-9)5-10(15)14-7-12-6-13-14/h1-4,6-7,10,15H,5H2.
What are the key properties of 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol?
2-(4-chlorophenyl)-1-(1,2,4-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 2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 171977591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).