4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde

C20H15F2NO3 — CID 22288648

IUPAC4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOc2cccc(-c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C20H15F2NO3/c21-15-6-9-17(18(22)12-15)19-2-1-3-20(23-19)26-11-10-25-16-7-4-14(13-24)5-8-16/h1-9,12-13H,10-11H2
InChIKeyNMKWYGZMFYVIPZ-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.30
Rot. Bonds7

About 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde

4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde (PubChem CID 22288648) has the molecular formula C20H15F2NO3 and a molecular weight of 355.34 g/mol. Its IUPAC name is 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde
PubChem CID22288648
Molecular FormulaC20H15F2NO3
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCCOc2cccc(-c3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C20H15F2NO3/c21-15-6-9-17(18(22)12-15)19-2-1-3-20(23-19)26-11-10-25-16-7-4-14(13-24)5-8-16/h1-9,12-13H,10-11H2
InChIKeyNMKWYGZMFYVIPZ-UHFFFAOYSA-N
XLogP4.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde?
The IUPAC name of 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde (CID 22288648) is 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde is O=Cc1ccc(OCCOc2cccc(-c3ccc(F)cc3F)n2)cc1.
What is the InChIKey of 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde?
The InChIKey is NMKWYGZMFYVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3/c21-15-6-9-17(18(22)12-15)19-2-1-3-20(23-19)26-11-10-25-16-7-4-14(13-24)5-8-16/h1-9,12-13H,10-11H2.
What are the key properties of 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde?
4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde has a molecular weight of 355.34 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(2,4-difluorophenyl)-2-pyridinyl]oxy]ethoxy]benzaldehyde is sourced from PubChem (CID 22288648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).