2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine

C24H30FNO5 — CID 118948957

IUPAC2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine
SMILESFC1(c2cc(OCc3ccccc3)cc(OCCOC3CCCCO3)n2)CCOCC1
InChIInChI=1S/C24H30FNO5/c25-24(9-12-27-13-10-24)21-16-20(31-18-19-6-2-1-3-7-19)17-22(26-21)28-14-15-30-23-8-4-5-11-29-23/h1-3,6-7,16-17,23H,4-5,8-15,18H2
InChIKeyRXCYXMDHIXAHBR-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.56
Rot. Bonds9

About 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine

2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine (PubChem CID 118948957) has the molecular formula C24H30FNO5 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine.

Molecular Properties

Compound Name2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine
PubChem CID118948957
Molecular FormulaC24H30FNO5
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine
SMILESFC1(c2cc(OCc3ccccc3)cc(OCCOC3CCCCO3)n2)CCOCC1
InChIInChI=1S/C24H30FNO5/c25-24(9-12-27-13-10-24)21-16-20(31-18-19-6-2-1-3-7-19)17-22(26-21)28-14-15-30-23-8-4-5-11-29-23/h1-3,6-7,16-17,23H,4-5,8-15,18H2
InChIKeyRXCYXMDHIXAHBR-UHFFFAOYSA-N
XLogP4.56
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxy-2-pyridinyl]oxetan-3-ol
CID 118948795
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-(4-phenylmethoxyphenoxy)oxane
CID 11076959
2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
CID 23147268
2-[3-methoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 54240973
ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate
CID 66599851
2-[3,4-dimethoxy-3-(3-phenylmethoxyphenyl)butoxy]oxane
CID 19761549
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine?
The IUPAC name of 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine (CID 118948957) is 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine.
What is the SMILES notation for 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine?
The canonical SMILES for 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine is FC1(c2cc(OCc3ccccc3)cc(OCCOC3CCCCO3)n2)CCOCC1.
What is the InChIKey of 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine?
The InChIKey is RXCYXMDHIXAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO5/c25-24(9-12-27-13-10-24)21-16-20(31-18-19-6-2-1-3-7-19)17-22(26-21)28-14-15-30-23-8-4-5-11-29-23/h1-3,6-7,16-17,23H,4-5,8-15,18H2.
What are the key properties of 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine?
2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine has a molecular weight of 431.50 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorooxan-4-yl)-6-[2-(oxan-2-yloxy)ethoxy]-4-phenylmethoxypyridine is sourced from PubChem (CID 118948957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).