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

C19H14FNO2 — CID 22612158

IUPAC1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H14FNO2/c20-15-8-10-16(11-9-15)23-19-17(7-4-12-21-19)18(22)13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyDFCUEOVNOCUCRT-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.44
Rot. Bonds5

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

1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone (PubChem CID 22612158) has the molecular formula C19H14FNO2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone
PubChem CID22612158
Molecular FormulaC19H14FNO2
Molecular Weight307.32 g/mol
Exact Mass307.10
IUPAC Name1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H14FNO2/c20-15-8-10-16(11-9-15)23-19-17(7-4-12-21-19)18(22)13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyDFCUEOVNOCUCRT-UHFFFAOYSA-N
XLogP4.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone?
The IUPAC name of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone (CID 22612158) is 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone?
The canonical SMILES for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone is O=C(Cc1ccccc1)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone?
The InChIKey is DFCUEOVNOCUCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2/c20-15-8-10-16(11-9-15)23-19-17(7-4-12-21-19)18(22)13-14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone?
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone has a molecular weight of 307.32 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenylethanone is sourced from PubChem (CID 22612158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).