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

C15H20ClN3O — CID 107103397

IUPAC1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1ncnn1CC(C)C
InChIInChI=1S/C15H20ClN3O/c1-10(2)8-19-15(17-9-18-19)7-14(20)12-5-4-6-13(16)11(12)3/h4-6,9-10,14,20H,7-8H2,1-3H3
InChIKeyNCTNOIAXWGGGIC-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.17
Rot. Bonds5

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

1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 107103397) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID107103397
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
SMILESCc1c(Cl)cccc1C(O)Cc1ncnn1CC(C)C
InChIInChI=1S/C15H20ClN3O/c1-10(2)8-19-15(17-9-18-19)7-14(20)12-5-4-6-13(16)11(12)3/h4-6,9-10,14,20H,7-8H2,1-3H3
InChIKeyNCTNOIAXWGGGIC-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 107103402
1-(2-bromo-3-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814180
1-(3-aminophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 106695869
1-(3-bromo-4-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115566519
1-(3-chloro-4-iodophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 103216914
1-(3,5-dichloro-2-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 79780044
(1R)-1-(2-chlorophenyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 81378193
1-(1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814230
1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 82685783
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
5-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 115956585
5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 114320715

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol (CID 107103397) is 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is Cc1c(Cl)cccc1C(O)Cc1ncnn1CC(C)C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is NCTNOIAXWGGGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10(2)8-19-15(17-9-18-19)7-14(20)12-5-4-6-13(16)11(12)3/h4-6,9-10,14,20H,7-8H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol?
1-(3-chloro-2-methylphenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 293.80 g/mol, XLogP of 3.17, 5 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-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 107103397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).