3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol

C13H16ClN3O2 — CID 105107078

IUPAC3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)Cc1ncnn1C
InChIInChI=1S/C13H16ClN3O2/c1-9(19-11-5-3-4-10(14)6-11)12(18)7-13-15-8-16-17(13)2/h3-6,8-9,12,18H,7H2,1-2H3
InChIKeyWLMLXWBFEPQNBS-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.84
Rot. Bonds5

About 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol

3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol (PubChem CID 105107078) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
PubChem CID105107078
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)Cc1ncnn1C
InChIInChI=1S/C13H16ClN3O2/c1-9(19-11-5-3-4-10(14)6-11)12(18)7-13-15-8-16-17(13)2/h3-6,8-9,12,18H,7H2,1-2H3
InChIKeyWLMLXWBFEPQNBS-UHFFFAOYSA-N
XLogP1.84
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol 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

3-(3-chlorophenoxy)-N-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105159384
3-(3-chlorophenoxy)-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107065734
2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79441166
3-(3-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 105131249
2-(3-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79443116
3-(3-chlorophenoxy)-1-(5-fluoro-2-methylphenyl)butan-2-ol
CID 105377681
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 106465641
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
1-(3-chlorophenoxy)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 105110355
1-[3-(difluoromethoxy)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114979951

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol?
The IUPAC name of 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol (CID 105107078) is 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol?
The canonical SMILES for 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol is CC(Oc1cccc(Cl)c1)C(O)Cc1ncnn1C.
What is the InChIKey of 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol?
The InChIKey is WLMLXWBFEPQNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-9(19-11-5-3-4-10(14)6-11)12(18)7-13-15-8-16-17(13)2/h3-6,8-9,12,18H,7H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol?
3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol has a molecular weight of 281.74 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol is sourced from PubChem (CID 105107078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).