2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine

C16H19NO3 — CID 15764663

IUPAC2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
SMILESCC(C)Oc1ccc(OCCOc2ccccn2)cc1
InChIInChI=1S/C16H19NO3/c1-13(2)20-15-8-6-14(7-9-15)18-11-12-19-16-5-3-4-10-17-16/h3-10,13H,11-12H2,1-2H3
InChIKeyZMSDCIYDOXCERH-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.33
Rot. Bonds7

About 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine

2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine (PubChem CID 15764663) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
PubChem CID15764663
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine
SMILESCC(C)Oc1ccc(OCCOc2ccccn2)cc1
InChIInChI=1S/C16H19NO3/c1-13(2)20-15-8-6-14(7-9-15)18-11-12-19-16-5-3-4-10-17-16/h3-10,13H,11-12H2,1-2H3
InChIKeyZMSDCIYDOXCERH-UHFFFAOYSA-N
XLogP3.33
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-propan-2-yloxypyridine
CID 118647854
dimethyl-[4-(3-pyridin-2-yloxypropoxy)phenyl]borane;methane
CID 158699011
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
2-(1-phenoxypropan-2-yloxy)pyridine
CID 67893782
2-(2-chloroethoxy)pyridine
CID 22624993
2-phenoxyethyl 4-propan-2-yloxybenzoate
CID 23011936
1-(4-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195697
2-butoxypyridine;carbonic acid
CID 159061563
3-methyl-N-(2-pyridin-2-yloxyethyl)butan-1-amine
CID 119027539
2-(2,2,3-trimethylbutoxy)pyridine
CID 59019418
(2R)-2-pyridin-2-yloxypropan-1-amine
CID 51684255
4-propan-2-yloxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62699532

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine?
The IUPAC name of 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine (CID 15764663) is 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine.
What is the SMILES notation for 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine?
The canonical SMILES for 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine is CC(C)Oc1ccc(OCCOc2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine?
The InChIKey is ZMSDCIYDOXCERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-13(2)20-15-8-6-14(7-9-15)18-11-12-19-16-5-3-4-10-17-16/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine?
2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine has a molecular weight of 273.33 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-yloxyphenoxy)ethoxy]pyridine is sourced from PubChem (CID 15764663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).