2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine

C21H20FNO3 — CID 22247739

IUPAC2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine
SMILESCCC(COc1ccc(Oc2ccc(F)cc2)cc1)Oc1ccccn1
InChIInChI=1S/C21H20FNO3/c1-2-17(26-21-5-3-4-14-23-21)15-24-18-10-12-20(13-11-18)25-19-8-6-16(22)7-9-19/h3-14,17H,2,15H2,1H3
InChIKeyUTPRQVWMQAPBIG-UHFFFAOYSA-N
MW353.39 g/mol
LogP5.25
Rot. Bonds8

About 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine

2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine (PubChem CID 22247739) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine
PubChem CID22247739
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine
SMILESCCC(COc1ccc(Oc2ccc(F)cc2)cc1)Oc1ccccn1
InChIInChI=1S/C21H20FNO3/c1-2-17(26-21-5-3-4-14-23-21)15-24-18-10-12-20(13-11-18)25-19-8-6-16(22)7-9-19/h3-14,17H,2,15H2,1H3
InChIKeyUTPRQVWMQAPBIG-UHFFFAOYSA-N
XLogP5.25
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.39
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine?
The IUPAC name of 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine (CID 22247739) is 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine.
What is the SMILES notation for 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine?
The canonical SMILES for 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine is CCC(COc1ccc(Oc2ccc(F)cc2)cc1)Oc1ccccn1.
What is the InChIKey of 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine?
The InChIKey is UTPRQVWMQAPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-2-17(26-21-5-3-4-14-23-21)15-24-18-10-12-20(13-11-18)25-19-8-6-16(22)7-9-19/h3-14,17H,2,15H2,1H3.
What are the key properties of 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine?
2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine has a molecular weight of 353.39 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenoxy)phenoxy]butan-2-yloxy]pyridine is sourced from PubChem (CID 22247739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).