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

C13H16ClN3O — CID 107103402

IUPAC1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1cccc(Cl)c1C
InChIInChI=1S/C13H16ClN3O/c1-3-17-13(15-8-16-17)7-12(18)10-5-4-6-11(14)9(10)2/h4-6,8,12,18H,3,7H2,1-2H3
InChIKeyJQUFFVREZYZGGP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.54
Rot. Bonds4

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

1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 107103402) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
PubChem CID107103402
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1cccc(Cl)c1C
InChIInChI=1S/C13H16ClN3O/c1-3-17-13(15-8-16-17)7-12(18)10-5-4-6-11(14)9(10)2/h4-6,8,12,18H,3,7H2,1-2H3
InChIKeyJQUFFVREZYZGGP-UHFFFAOYSA-N
XLogP2.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 107103397
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinoxalin-5-ylethanol
CID 105109150
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105109180
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 105109204
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
1-(5-chloro-1-methylimidazol-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 114239421
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
1-(3-chloro-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107103559
1-(2-chloro-3-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105001821

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (CID 107103402) is 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is CCn1ncnc1CC(O)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is JQUFFVREZYZGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-17-13(15-8-16-17)7-12(18)10-5-4-6-11(14)9(10)2/h4-6,8,12,18H,3,7H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 265.74 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 107103402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).