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

C15H20ClN3O2 — CID 94944971

IUPAC[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-2-3-4-15-14(11-20)17-18-19(15)9-10-21-13-7-5-12(16)6-8-13/h5-8,20H,2-4,9-11H2,1H3
InChIKeyMAMKPSUYYTYNAA-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.85
Rot. Bonds8

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

[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol (PubChem CID 94944971) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
PubChem CID94944971
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O2/c1-2-3-4-15-14(11-20)17-18-19(15)9-10-21-13-7-5-12(16)6-8-13/h5-8,20H,2-4,9-11H2,1H3
InChIKeyMAMKPSUYYTYNAA-UHFFFAOYSA-N
XLogP2.85
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.85
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
[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
CID 82209227
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
[5-[3-(4-methoxyphenoxy)propyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204654
5-butyl-1-[2-(4-methylphenoxy)ethyl]triazole-4-carbonitrile
CID 82209160
3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946321
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
5-butyl-1-[3-(4-methoxyphenoxy)propyl]triazole-4-carbaldehyde
CID 94945215
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
CID 82210031
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
5-butyl-1-[3-(4-ethylphenoxy)propyl]triazole-4-carbaldehyde
CID 94945193

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol?
The IUPAC name of [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol (CID 94944971) is [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol is CCCCc1c(CO)nnn1CCOc1ccc(Cl)cc1.
What is the InChIKey of [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol?
The InChIKey is MAMKPSUYYTYNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-2-3-4-15-14(11-20)17-18-19(15)9-10-21-13-7-5-12(16)6-8-13/h5-8,20H,2-4,9-11H2,1H3.
What are the key properties of [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol?
[5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol has a molecular weight of 309.80 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 94944971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).