[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol

C13H19NO3 — CID 54977105

IUPAC[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(OCC2CCOC2)n1
InChIInChI=1S/C13H19NO3/c1-9-5-10(2)14-13(12(9)6-15)17-8-11-3-4-16-7-11/h5,11,15H,3-4,6-8H2,1-2H3
InChIKeyNBINASBCGLIRBE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.61
Rot. Bonds4

About [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol

[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol (PubChem CID 54977105) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol
PubChem CID54977105
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol
SMILESCc1cc(C)c(CO)c(OCC2CCOC2)n1
InChIInChI=1S/C13H19NO3/c1-9-5-10(2)14-13(12(9)6-15)17-8-11-3-4-16-7-11/h5,11,15H,3-4,6-8H2,1-2H3
InChIKeyNBINASBCGLIRBE-UHFFFAOYSA-N
XLogP1.61
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62322089
[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 62381743
4,6-dimethyl-2-(oxan-4-ylmethoxy)pyridine-3-carboxylic acid
CID 62383709
5-methyl-6-(oxolan-3-ylmethoxy)pyridin-3-amine
CID 62475412
3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol
CID 61255510
[6-methyl-2-(oxolan-3-ylmethoxy)pyrimidin-4-yl]methanamine
CID 107542654
[2-(2-methoxyethoxy)-4,6-dimethyl-3-pyridinyl]methanol
CID 61257365
5-methyl-2-(oxolan-3-ylmethoxy)pyridin-3-amine
CID 66280449
N-[[2-(cyclopropylmethoxy)-4,6-dimethyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62291511
1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62385087
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217

Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol (CID 54977105) is [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol is Cc1cc(C)c(CO)c(OCC2CCOC2)n1.
What is the InChIKey of [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol?
The InChIKey is NBINASBCGLIRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-10(2)14-13(12(9)6-15)17-8-11-3-4-16-7-11/h5,11,15H,3-4,6-8H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol?
[4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol has a molecular weight of 237.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 54977105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).