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

C14H18ClN3O2 — CID 82209233

IUPAC[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-2-3-14-13(10-19)16-17-18(14)8-9-20-12-6-4-11(15)5-7-12/h4-7,19H,2-3,8-10H2,1H3
InChIKeyVNUQHSNAYYMDJL-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.46
Rot. Bonds7

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

[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol (PubChem CID 82209233) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
PubChem CID82209233
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-2-3-14-13(10-19)16-17-18(14)8-9-20-12-6-4-11(15)5-7-12/h4-7,19H,2-3,8-10H2,1H3
InChIKeyVNUQHSNAYYMDJL-UHFFFAOYSA-N
XLogP2.46
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
CID 94944971
[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
CID 82209227
1-[2-(3-chlorophenoxy)ethyl]-5-propyltriazol-4-amine
CID 79542672
[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
CID 82204190
[5-[3-(4-methoxyphenoxy)propyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204654
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946321
2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
CID 82210031
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
CID 82208557

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol?
The IUPAC name of [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol (CID 82209233) is [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol?
The canonical SMILES for [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol is CCCc1c(CO)nnn1CCOc1ccc(Cl)cc1.
What is the InChIKey of [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol?
The InChIKey is VNUQHSNAYYMDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-2-3-14-13(10-19)16-17-18(14)8-9-20-12-6-4-11(15)5-7-12/h4-7,19H,2-3,8-10H2,1H3.
What are the key properties of [1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol?
[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol has a molecular weight of 295.77 g/mol, XLogP of 2.46, 7 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-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82209233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).