4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol

C12H19NO3 — CID 79356219

IUPAC4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol
SMILESCc1ccc(OCCC(C)(C)O)c(CO)n1
InChIInChI=1S/C12H19NO3/c1-9-4-5-11(10(8-14)13-9)16-7-6-12(2,3)15/h4-5,14-15H,6-8H2,1-3H3
InChIKeyLXXFUTFJROUKMD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.42
Rot. Bonds5

About 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol

4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol (PubChem CID 79356219) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol
PubChem CID79356219
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol
SMILESCc1ccc(OCCC(C)(C)O)c(CO)n1
InChIInChI=1S/C12H19NO3/c1-9-4-5-11(10(8-14)13-9)16-7-6-12(2,3)15/h4-5,14-15H,6-8H2,1-3H3
InChIKeyLXXFUTFJROUKMD-UHFFFAOYSA-N
XLogP1.42
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
[3-(3-methoxypropoxy)-6-methyl-2-pyridinyl]methanol
CID 79157840
[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol
CID 79156315
[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
CID 114525688
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334
[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79158019
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methylbutan-2-amine
CID 103175670
4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79151514
[4-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]phenyl]methanol
CID 103175335

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol (CID 79356219) is 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol is Cc1ccc(OCCC(C)(C)O)c(CO)n1.
What is the InChIKey of 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol?
The InChIKey is LXXFUTFJROUKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-4-5-11(10(8-14)13-9)16-7-6-12(2,3)15/h4-5,14-15H,6-8H2,1-3H3.
What are the key properties of 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol?
4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol is sourced from PubChem (CID 79356219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).