4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine

C20H19NO3 — CID 22247669

IUPAC4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
SMILESCC(COc1ccc(Oc2ccccc2)cc1)Oc1ccncc1
InChIInChI=1S/C20H19NO3/c1-16(23-20-11-13-21-14-12-20)15-22-17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3
InChIKeyNCHJZONYUQEFLR-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.72
Rot. Bonds7

About 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine

4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine (PubChem CID 22247669) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine.

Molecular Properties

Compound Name4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
PubChem CID22247669
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
SMILESCC(COc1ccc(Oc2ccccc2)cc1)Oc1ccncc1
InChIInChI=1S/C20H19NO3/c1-16(23-20-11-13-21-14-12-20)15-22-17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3
InChIKeyNCHJZONYUQEFLR-UHFFFAOYSA-N
XLogP4.72
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine 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 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
The IUPAC name of 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine (CID 22247669) is 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine.
What is the SMILES notation for 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
The canonical SMILES for 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine is CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccncc1.
What is the InChIKey of 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
The InChIKey is NCHJZONYUQEFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-16(23-20-11-13-21-14-12-20)15-22-17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3.
What are the key properties of 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine?
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine has a molecular weight of 321.38 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine is sourced from PubChem (CID 22247669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).