[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol

C13H19NO4 — CID 21106673

IUPAC[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol
SMILESOCc1ncccc1OCCOC1CCCCO1
InChIInChI=1S/C13H19NO4/c15-10-11-12(4-3-6-14-11)16-8-9-18-13-5-1-2-7-17-13/h3-4,6,13,15H,1-2,5,7-10H2
InChIKeyWAPQAEDQCMZFRJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.50
Rot. Bonds6

About [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol

[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol (PubChem CID 21106673) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol
PubChem CID21106673
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol
SMILESOCc1ncccc1OCCOC1CCCCO1
InChIInChI=1S/C13H19NO4/c15-10-11-12(4-3-6-14-11)16-8-9-18-13-5-1-2-7-17-13/h3-4,6,13,15H,1-2,5,7-10H2
InChIKeyWAPQAEDQCMZFRJ-UHFFFAOYSA-N
XLogP1.50
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol?
The IUPAC name of [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol (CID 21106673) is [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol.
What is the SMILES notation for [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol?
The canonical SMILES for [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol is OCc1ncccc1OCCOC1CCCCO1.
What is the InChIKey of [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol?
The InChIKey is WAPQAEDQCMZFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-10-11-12(4-3-6-14-11)16-8-9-18-13-5-1-2-7-17-13/h3-4,6,13,15H,1-2,5,7-10H2.
What are the key properties of [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol?
[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol has a molecular weight of 253.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]methanol is sourced from PubChem (CID 21106673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).