[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol

C16H23N3O2 — CID 82208719

IUPAC[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
SMILESCCc1ccc(OCc2c(CO)nnn2CC(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-13-5-7-14(8-6-13)21-11-16-15(10-20)17-18-19(16)9-12(2)3/h5-8,12,20H,4,9-11H2,1-3H3
InChIKeyLXBOJKQXVPQVOT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.57
Rot. Bonds7

About [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol

[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol (PubChem CID 82208719) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
PubChem CID82208719
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
SMILESCCc1ccc(OCc2c(CO)nnn2CC(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-4-13-5-7-14(8-6-13)21-11-16-15(10-20)17-18-19(16)9-12(2)3/h5-8,12,20H,4,9-11H2,1-3H3
InChIKeyLXBOJKQXVPQVOT-UHFFFAOYSA-N
XLogP2.57
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-ethoxyphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208710
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
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
CID 82208557
[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208301
2-[5-[(3-ethylphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206570
5-[(4-ethylphenoxy)methyl]-1-(3-methylbutyl)triazole-4-carbaldehyde
CID 82208359
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
5-[(4-ethoxyphenyl)methyl]-1-(2-methylpropyl)triazole-4-carbonitrile
CID 82208657
3-[(4-ethylphenoxy)methyl]-5-ethylsulfanyl-4-(2-methylpropyl)-1,2,4-triazole
CID 112773934
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899
[5-[(3-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210785

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol?
The IUPAC name of [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol (CID 82208719) is [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol?
The canonical SMILES for [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol is CCc1ccc(OCc2c(CO)nnn2CC(C)C)cc1.
What is the InChIKey of [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol?
The InChIKey is LXBOJKQXVPQVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-13-5-7-14(8-6-13)21-11-16-15(10-20)17-18-19(16)9-12(2)3/h5-8,12,20H,4,9-11H2,1-3H3.
What are the key properties of [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol?
[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol has a molecular weight of 289.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol is sourced from PubChem (CID 82208719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).