1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol

C16H14ClN3O — CID 20525182

IUPAC1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-13-7-5-12(6-8-13)14-3-1-2-4-15(14)16(21)9-20-11-18-10-19-20/h1-8,10-11,16,21H,9H2
InChIKeySTXVLPGTOUTLHG-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.33
Rot. Bonds4

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

1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 20525182) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID20525182
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)c1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O/c17-13-7-5-12(6-8-13)14-3-1-2-4-15(14)16(21)9-20-11-18-10-19-20/h1-8,10-11,16,21H,9H2
InChIKeySTXVLPGTOUTLHG-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
1-[6-(4-chlorophenoxy)-4-(trifluoromethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanol
CID 126601534
(S)-[2-(4-chlorophenyl)phenyl]-cyclohexylmethanol
CID 58080086
1-(1H-pyrrol-2-yl)-2-(1,2,4-triazol-1-yl)ethanol
CID 130979898
5-(2-chlorophenyl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
CID 19022866
1-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19849797
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
1-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938
1-[2-chloro-4-(4-chlorophenoxy)phenyl]-1-methoxy-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 175119134
1-[2-(4-chlorophenyl)-3-methylpent-4-enyl]-1,2,4-triazole
CID 175710478
2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarboximidamide
CID 24698268
1-[2-(4-chlorophenyl)-2-methylsulfonylethyl]-1,2,4-triazole
CID 154227626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol (CID 20525182) is 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)c1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is STXVLPGTOUTLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-13-7-5-12(6-8-13)14-3-1-2-4-15(14)16(21)9-20-11-18-10-19-20/h1-8,10-11,16,21H,9H2.
What are the key properties of 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol?
1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 299.76 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 20525182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).