1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol

C10H9Cl2N3O — CID 118708819

IUPAC1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol
SMILESOC(Cc1cn[nH]n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3O/c11-6-1-2-8(9(12)3-6)10(16)4-7-5-13-15-14-7/h1-3,5,10,16H,4H2,(H,13,14,15)
InChIKeyMJNYBCMECAHJQH-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.39
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol

1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol (PubChem CID 118708819) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol
PubChem CID118708819
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol
SMILESOC(Cc1cn[nH]n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3O/c11-6-1-2-8(9(12)3-6)10(16)4-7-5-13-15-14-7/h1-3,5,10,16H,4H2,(H,13,14,15)
InChIKeyMJNYBCMECAHJQH-UHFFFAOYSA-N
XLogP2.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol (CID 118708819) is 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol is OC(Cc1cn[nH]n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol?
The InChIKey is MJNYBCMECAHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-6-1-2-8(9(12)3-6)10(16)4-7-5-13-15-14-7/h1-3,5,10,16H,4H2,(H,13,14,15).
What are the key properties of 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol?
1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol has a molecular weight of 258.11 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(2H-triazol-4-yl)ethanol is sourced from PubChem (CID 118708819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).