2-[3-(4-phenoxyphenoxy)propyl]pyridine

C20H19NO2 — CID 14154439

IUPAC2-[3-(4-phenoxyphenoxy)propyl]pyridine
SMILESc1ccc(Oc2ccc(OCCCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-2-9-19(10-3-1)23-20-13-11-18(12-14-20)22-16-6-8-17-7-4-5-15-21-17/h1-5,7,9-15H,6,8,16H2
InChIKeySLWRYZRGVXOZDN-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.89
Rot. Bonds7

About 2-[3-(4-phenoxyphenoxy)propyl]pyridine

2-[3-(4-phenoxyphenoxy)propyl]pyridine (PubChem CID 14154439) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[3-(4-phenoxyphenoxy)propyl]pyridine.

Molecular Properties

Compound Name2-[3-(4-phenoxyphenoxy)propyl]pyridine
PubChem CID14154439
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-[3-(4-phenoxyphenoxy)propyl]pyridine
SMILESc1ccc(Oc2ccc(OCCCc3ccccn3)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-2-9-19(10-3-1)23-20-13-11-18(12-14-20)22-16-6-8-17-7-4-5-15-21-17/h1-5,7,9-15H,6,8,16H2
InChIKeySLWRYZRGVXOZDN-UHFFFAOYSA-N
XLogP4.89
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-phenoxypentyl)pyridine;hydrochloride
CID 117067687
2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine
CID 13386761
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-[6-(6-pyridin-2-ylhexoxy)hexyl]pyridine
CID 57198665
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
3-pyridin-2-ylpropyl benzoate
CID 13206388
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
2-(7-phenylheptyl)pyridine
CID 54510986
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
3-pyridin-2-ylpropyl hydrogen sulfate
CID 88630497
2-[3-(6-bromohexoxy)propyl]pyridine
CID 22161742

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenoxyphenoxy)propyl]pyridine?
The IUPAC name of 2-[3-(4-phenoxyphenoxy)propyl]pyridine (CID 14154439) is 2-[3-(4-phenoxyphenoxy)propyl]pyridine.
What is the SMILES notation for 2-[3-(4-phenoxyphenoxy)propyl]pyridine?
The canonical SMILES for 2-[3-(4-phenoxyphenoxy)propyl]pyridine is c1ccc(Oc2ccc(OCCCc3ccccn3)cc2)cc1.
What is the InChIKey of 2-[3-(4-phenoxyphenoxy)propyl]pyridine?
The InChIKey is SLWRYZRGVXOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-9-19(10-3-1)23-20-13-11-18(12-14-20)22-16-6-8-17-7-4-5-15-21-17/h1-5,7,9-15H,6,8,16H2.
What are the key properties of 2-[3-(4-phenoxyphenoxy)propyl]pyridine?
2-[3-(4-phenoxyphenoxy)propyl]pyridine has a molecular weight of 305.38 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenoxyphenoxy)propyl]pyridine is sourced from PubChem (CID 14154439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).