2-[3-(methoxymethoxy)-4-pyridinyl]ethanol

C9H13NO3 — CID 68725947

IUPAC2-[3-(methoxymethoxy)-4-pyridinyl]ethanol
SMILESCOCOc1cnccc1CCO
InChIInChI=1S/C9H13NO3/c1-12-7-13-9-6-10-4-2-8(9)3-5-11/h2,4,6,11H,3,5,7H2,1H3
InChIKeyYBVALXOEEBBGOQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.60
Rot. Bonds5

About 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol

2-[3-(methoxymethoxy)-4-pyridinyl]ethanol (PubChem CID 68725947) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[3-(methoxymethoxy)-4-pyridinyl]ethanol
PubChem CID68725947
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-[3-(methoxymethoxy)-4-pyridinyl]ethanol
SMILESCOCOc1cnccc1CCO
InChIInChI=1S/C9H13NO3/c1-12-7-13-9-6-10-4-2-8(9)3-5-11/h2,4,6,11H,3,5,7H2,1H3
InChIKeyYBVALXOEEBBGOQ-UHFFFAOYSA-N
XLogP0.60
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
1-[3-(methoxymethoxy)-4-pyridinyl]propan-1-ol
CID 174389352
3-ethoxy-4-propylpyridine
CID 176934400
3-(methoxymethoxy)pyridine-4-carbaldehyde
CID 45091058
2-[2-[[4-(hydroxymethyl)-3-pyridinyl]oxy]phenyl]ethanol
CID 107713866
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
CID 105067216
7-[2-(methoxymethoxy)phenyl]heptan-1-ol
CID 15737185
3-methoxy-4-pentylpyridine
CID 170214218
N-benzyl-3-(methoxymethoxy)pyridin-4-amine
CID 91007168
[3-(2-propan-2-yloxyethoxy)-4-pyridinyl]methanol
CID 105067127
3-phenylmethoxy-4-propylpyridine
CID 154694939
methyl 4-[hydroxy-[3-(methoxymethoxy)-4-pyridinyl]methyl]benzoate
CID 69220240

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol?
The IUPAC name of 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol (CID 68725947) is 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol.
What is the SMILES notation for 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol?
The canonical SMILES for 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol is COCOc1cnccc1CCO.
What is the InChIKey of 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol?
The InChIKey is YBVALXOEEBBGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-12-7-13-9-6-10-4-2-8(9)3-5-11/h2,4,6,11H,3,5,7H2,1H3.
What are the key properties of 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol?
2-[3-(methoxymethoxy)-4-pyridinyl]ethanol has a molecular weight of 183.21 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethoxy)-4-pyridinyl]ethanol is sourced from PubChem (CID 68725947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).