1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone

C19H14FNO3 — CID 22612434

IUPAC1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c20-14-8-10-16(11-9-14)24-19-17(7-4-12-21-19)18(22)13-23-15-5-2-1-3-6-15/h1-12H,13H2
InChIKeyVBMUXGMQAGBZGD-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.27
Rot. Bonds6

About 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone

1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone (PubChem CID 22612434) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
PubChem CID22612434
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H14FNO3/c20-14-8-10-16(11-9-14)24-19-17(7-4-12-21-19)18(22)13-23-15-5-2-1-3-6-15/h1-12H,13H2
InChIKeyVBMUXGMQAGBZGD-UHFFFAOYSA-N
XLogP4.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone (CID 22612434) is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone is O=C(COc1ccccc1)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone?
The InChIKey is VBMUXGMQAGBZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c20-14-8-10-16(11-9-14)24-19-17(7-4-12-21-19)18(22)13-23-15-5-2-1-3-6-15/h1-12H,13H2.
What are the key properties of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone?
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone has a molecular weight of 323.32 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone is sourced from PubChem (CID 22612434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).