3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol

C11H17NO3 — CID 61255510

IUPAC3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol
SMILESCc1cc(C)c(CO)c(OCCCO)n1
InChIInChI=1S/C11H17NO3/c1-8-6-9(2)12-11(10(8)7-14)15-5-3-4-13/h6,13-14H,3-5,7H2,1-2H3
InChIKeyWRNUGCXAHDGYHZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.95
Rot. Bonds5

About 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol

3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol (PubChem CID 61255510) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol
PubChem CID61255510
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol
SMILESCc1cc(C)c(CO)c(OCCCO)n1
InChIInChI=1S/C11H17NO3/c1-8-6-9(2)12-11(10(8)7-14)15-5-3-4-13/h6,13-14H,3-5,7H2,1-2H3
InChIKeyWRNUGCXAHDGYHZ-UHFFFAOYSA-N
XLogP0.95
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol (CID 61255510) is 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol is Cc1cc(C)c(CO)c(OCCCO)n1.
What is the InChIKey of 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol?
The InChIKey is WRNUGCXAHDGYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-6-9(2)12-11(10(8)7-14)15-5-3-4-13/h6,13-14H,3-5,7H2,1-2H3.
What are the key properties of 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol?
3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)-4,6-dimethyl-2-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 61255510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).