3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol

C14H19N3O4 — CID 82211554

IUPAC3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
SMILESCOc1ccccc1OCc1c(CO)nnn1CCCO
InChIInChI=1S/C14H19N3O4/c1-20-13-5-2-3-6-14(13)21-10-12-11(9-19)15-16-17(12)7-4-8-18/h2-3,5-6,18-19H,4,7-10H2,1H3
InChIKeyWSJJHSGZCUWBHZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.74
Rot. Bonds8

About 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol

3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol (PubChem CID 82211554) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
PubChem CID82211554
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol
SMILESCOc1ccccc1OCc1c(CO)nnn1CCCO
InChIInChI=1S/C14H19N3O4/c1-20-13-5-2-3-6-14(13)21-10-12-11(9-19)15-16-17(12)7-4-8-18/h2-3,5-6,18-19H,4,7-10H2,1H3
InChIKeyWSJJHSGZCUWBHZ-UHFFFAOYSA-N
XLogP0.74
TPSA89.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[(2-methoxyphenoxy)methyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210779
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-hexyl-5-[(2-methoxyphenoxy)methyl]triazole-4-carbonitrile
CID 94944092
[5-[(2-methoxyphenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207915
[5-[(2-chlorophenoxy)methyl]-1-prop-2-enyltriazol-4-yl]methanol
CID 82204645
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
[5-[(2-chlorophenoxy)methyl]-1-pentyltriazol-4-yl]methanamine
CID 94944035
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
4-(2-methoxyphenoxy)butan-1-ol
CID 43510003
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[5-[(2,5-dimethylphenoxy)methyl]-1-ethyltriazol-4-yl]methanol
CID 82207380

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol (CID 82211554) is 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol is COc1ccccc1OCc1c(CO)nnn1CCCO.
What is the InChIKey of 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol?
The InChIKey is WSJJHSGZCUWBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-20-13-5-2-3-6-14(13)21-10-12-11(9-19)15-16-17(12)7-4-8-18/h2-3,5-6,18-19H,4,7-10H2,1H3.
What are the key properties of 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol?
3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol has a molecular weight of 293.32 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-5-[(2-methoxyphenoxy)methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 82211554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).