[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol

C12H14ClN3O2 — CID 82209227

IUPAC[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2/c1-9-12(8-17)14-15-16(9)6-7-18-11-4-2-10(13)3-5-11/h2-5,17H,6-8H2,1H3
InChIKeyLVYCXLUXSDTIFD-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.81
Rot. Bonds5

About [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol

[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol (PubChem CID 82209227) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
PubChem CID82209227
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O2/c1-9-12(8-17)14-15-16(9)6-7-18-11-4-2-10(13)3-5-11/h2-5,17H,6-8H2,1H3
InChIKeyLVYCXLUXSDTIFD-UHFFFAOYSA-N
XLogP1.81
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
CID 82209233
[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
CID 94944971
3-[5-methyl-1-[4-(4-methylphenoxy)butyl]triazol-4-yl]propan-1-ol
CID 82209802
1-[2-(4-methoxyphenoxy)ethyl]-5-methyltriazole-4-carboxylic acid
CID 62055401
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine
CID 79548359
[1-(3-aminopropyl)-5-methyltriazol-4-yl]methanol
CID 115013739
3-[1-[3-(4-methoxyphenoxy)propyl]-5-methyltriazol-4-yl]propanoic acid
CID 94945234
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
1-[2-(4-chlorophenoxy)ethyl]-5-(trifluoromethyl)triazole-4-carbonitrile
CID 94944982
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazole-4-carbonitrile
CID 82209240
2-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 62401507

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol (CID 82209227) is [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol is Cc1c(CO)nnn1CCOc1ccc(Cl)cc1.
What is the InChIKey of [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol?
The InChIKey is LVYCXLUXSDTIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-9-12(8-17)14-15-16(9)6-7-18-11-4-2-10(13)3-5-11/h2-5,17H,6-8H2,1H3.
What are the key properties of [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol?
[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol has a molecular weight of 267.72 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 82209227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).