1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone

C20H16FNO2 — CID 57326341

IUPAC1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(F)c2Oc2ccc(C)cn2)cc1
InChIInChI=1S/C20H16FNO2/c1-13-6-11-19(22-12-13)24-20-17(4-3-5-18(20)21)16-9-7-15(8-10-16)14(2)23/h3-12H,1-2H3
InChIKeyUGNBWWHHHOSDCG-UHFFFAOYSA-N
MW321.35 g/mol
LogP5.19
Rot. Bonds4

About 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone

1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone (PubChem CID 57326341) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone
PubChem CID57326341
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc(F)c2Oc2ccc(C)cn2)cc1
InChIInChI=1S/C20H16FNO2/c1-13-6-11-19(22-12-13)24-20-17(4-3-5-18(20)21)16-9-7-15(8-10-16)14(2)23/h3-12H,1-2H3
InChIKeyUGNBWWHHHOSDCG-UHFFFAOYSA-N
XLogP5.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.35
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone (CID 57326341) is 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2cccc(F)c2Oc2ccc(C)cn2)cc1.
What is the InChIKey of 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone?
The InChIKey is UGNBWWHHHOSDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-13-6-11-19(22-12-13)24-20-17(4-3-5-18(20)21)16-9-7-15(8-10-16)14(2)23/h3-12H,1-2H3.
What are the key properties of 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone?
1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone has a molecular weight of 321.35 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-2-[(5-methyl-2-pyridinyl)oxy]phenyl]phenyl]ethanone is sourced from PubChem (CID 57326341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).