2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol

C11H12ClN3O — CID 59127390

IUPAC2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
SMILESCc1ccc(-n2cnnc2CCO)c(Cl)c1
InChIInChI=1S/C11H12ClN3O/c1-8-2-3-10(9(12)6-8)15-7-13-14-11(15)4-5-16/h2-3,6-7,16H,4-5H2,1H3
InChIKeySIOPIYBKZSMOSW-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.76
Rot. Bonds3

About 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol

2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 59127390) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID59127390
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol
SMILESCc1ccc(-n2cnnc2CCO)c(Cl)c1
InChIInChI=1S/C11H12ClN3O/c1-8-2-3-10(9(12)6-8)15-7-13-14-11(15)4-5-16/h2-3,6-7,16H,4-5H2,1H3
InChIKeySIOPIYBKZSMOSW-UHFFFAOYSA-N
XLogP1.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol (CID 59127390) is 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol is Cc1ccc(-n2cnnc2CCO)c(Cl)c1.
What is the InChIKey of 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is SIOPIYBKZSMOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-2-3-10(9(12)6-8)15-7-13-14-11(15)4-5-16/h2-3,6-7,16H,4-5H2,1H3.
What are the key properties of 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol?
2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 237.69 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 59127390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).