2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine

C20H18FNO2 — CID 59191354

IUPAC2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine
SMILESCCc1ccc(Oc2cccc(F)n2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H18FNO2/c1-2-15-11-12-17(24-20-10-6-9-19(21)22-20)18(13-15)23-14-16-7-4-3-5-8-16/h3-13H,2,14H2,1H3
InChIKeyHARVXWKSWATTKD-UHFFFAOYSA-N
MW323.37 g/mol
LogP5.15
Rot. Bonds6

About 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine

2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine (PubChem CID 59191354) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine.

Molecular Properties

Compound Name2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine
PubChem CID59191354
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC Name2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine
SMILESCCc1ccc(Oc2cccc(F)n2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H18FNO2/c1-2-15-11-12-17(24-20-10-6-9-19(21)22-20)18(13-15)23-14-16-7-4-3-5-8-16/h3-13H,2,14H2,1H3
InChIKeyHARVXWKSWATTKD-UHFFFAOYSA-N
XLogP5.15
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.37
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine?
The IUPAC name of 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine (CID 59191354) is 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine.
What is the SMILES notation for 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine?
The canonical SMILES for 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine is CCc1ccc(Oc2cccc(F)n2)c(OCc2ccccc2)c1.
What is the InChIKey of 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine?
The InChIKey is HARVXWKSWATTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-2-15-11-12-17(24-20-10-6-9-19(21)22-20)18(13-15)23-14-16-7-4-3-5-8-16/h3-13H,2,14H2,1H3.
What are the key properties of 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine?
2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine has a molecular weight of 323.37 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-phenylmethoxyphenoxy)-6-fluoropyridine is sourced from PubChem (CID 59191354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).