1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone

C10H11FO4S — CID 62785315

IUPAC1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CS(C)(=O)=O)c1O
InChIInChI=1S/C10H11FO4S/c1-6(12)9-4-8(11)3-7(10(9)13)5-16(2,14)15/h3-4,13H,5H2,1-2H3
InChIKeyMWKWMTBOAKUBAB-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.28
Rot. Bonds3

About 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone

1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone (PubChem CID 62785315) has the molecular formula C10H11FO4S and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone
PubChem CID62785315
Molecular FormulaC10H11FO4S
Molecular Weight246.26 g/mol
Exact Mass246.04
IUPAC Name1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone
SMILESCC(=O)c1cc(F)cc(CS(C)(=O)=O)c1O
InChIInChI=1S/C10H11FO4S/c1-6(12)9-4-8(11)3-7(10(9)13)5-16(2,14)15/h3-4,13H,5H2,1-2H3
InChIKeyMWKWMTBOAKUBAB-UHFFFAOYSA-N
XLogP1.28
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone (CID 62785315) is 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone is CC(=O)c1cc(F)cc(CS(C)(=O)=O)c1O.
What is the InChIKey of 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone?
The InChIKey is MWKWMTBOAKUBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4S/c1-6(12)9-4-8(11)3-7(10(9)13)5-16(2,14)15/h3-4,13H,5H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone?
1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone has a molecular weight of 246.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-hydroxy-3-(methylsulfonylmethyl)phenyl]ethanone is sourced from PubChem (CID 62785315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).