2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol

C13H17N3O3 — CID 82210031

IUPAC2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
SMILESCc1ccc(OCc2c(CO)nnn2CCO)cc1
InChIInChI=1S/C13H17N3O3/c1-10-2-4-11(5-3-10)19-9-13-12(8-18)14-15-16(13)6-7-17/h2-5,17-18H,6-9H2,1H3
InChIKeyWUFARRJNQJLTFG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.65
Rot. Bonds6

About 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol

2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol (PubChem CID 82210031) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
PubChem CID82210031
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol
SMILESCc1ccc(OCc2c(CO)nnn2CCO)cc1
InChIInChI=1S/C13H17N3O3/c1-10-2-4-11(5-3-10)19-9-13-12(8-18)14-15-16(13)6-7-17/h2-5,17-18H,6-9H2,1H3
InChIKeyWUFARRJNQJLTFG-UHFFFAOYSA-N
XLogP0.65
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(4-ethoxyphenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 94946321
[5-[(4-ethoxyphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208710
[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208719
3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
CID 82211554
[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
CID 82207380
2-[5-[(4-chlorophenoxy)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 94946248
1-hexyl-5-[(4-methylphenoxy)methyl]triazole-4-carbaldehyde
CID 82206052
3-[5-methyl-1-[4-(4-methylphenoxy)butyl]triazol-4-yl]propan-1-ol
CID 82209802
[5-[(2,5-dimethylphenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204642
[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
CID 82209233
1-hexyl-5-[(4-methylphenoxy)methyl]triazole-4-carbonitrile
CID 82206051
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82198228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol (CID 82210031) is 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol is Cc1ccc(OCc2c(CO)nnn2CCO)cc1.
What is the InChIKey of 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol?
The InChIKey is WUFARRJNQJLTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-10-2-4-11(5-3-10)19-9-13-12(8-18)14-15-16(13)6-7-17/h2-5,17-18H,6-9H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol?
2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol has a molecular weight of 263.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-5-[(4-methylphenoxy)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 82210031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).