1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol

C13H21NO4 — CID 79158885

IUPAC1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OCC(O)COC(C)C)c(CO)n1
InChIInChI=1S/C13H21NO4/c1-9(2)17-7-11(16)8-18-13-5-4-10(3)14-12(13)6-15/h4-5,9,11,15-16H,6-8H2,1-3H3
InChIKeyNIYCVMXDUNRXKY-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.05
Rot. Bonds7

About 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol

1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol (PubChem CID 79158885) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
PubChem CID79158885
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
SMILESCc1ccc(OCC(O)COC(C)C)c(CO)n1
InChIInChI=1S/C13H21NO4/c1-9(2)17-7-11(16)8-18-13-5-4-10(3)14-12(13)6-15/h4-5,9,11,15-16H,6-8H2,1-3H3
InChIKeyNIYCVMXDUNRXKY-UHFFFAOYSA-N
XLogP1.05
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol
CID 79157906
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]propane-1,2-diol
CID 82850120
1-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988783
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]propanoic acid
CID 79159018
[3-[3-(dimethylamino)propoxy]-6-methyl-2-pyridinyl]methanol
CID 114525688
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methyl-N-propan-2-ylacetamide
CID 79157642
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-methylacetamide
CID 79157830
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
[6-methyl-3-(3,3,3-trifluoropropoxy)-2-pyridinyl]methanol
CID 79158379
4-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-2-methylbutan-2-ol
CID 79356219
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
CID 63988643

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol (CID 79158885) is 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol is Cc1ccc(OCC(O)COC(C)C)c(CO)n1.
What is the InChIKey of 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
The InChIKey is NIYCVMXDUNRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9(2)17-7-11(16)8-18-13-5-4-10(3)14-12(13)6-15/h4-5,9,11,15-16H,6-8H2,1-3H3.
What are the key properties of 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol?
1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol has a molecular weight of 255.31 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 79158885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).