2-fluoro-4-(2-methylsulfonylethyl)phenol

C9H11FO3S — CID 67202315

IUPAC2-fluoro-4-(2-methylsulfonylethyl)phenol
SMILESCS(=O)(=O)CCc1ccc(O)c(F)c1
InChIInChI=1S/C9H11FO3S/c1-14(12,13)5-4-7-2-3-9(11)8(10)6-7/h2-3,6,11H,4-5H2,1H3
InChIKeyXWRIYWORVQFFPF-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.12
Rot. Bonds3

About 2-fluoro-4-(2-methylsulfonylethyl)phenol

2-fluoro-4-(2-methylsulfonylethyl)phenol (PubChem CID 67202315) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylsulfonylethyl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(2-methylsulfonylethyl)phenol
PubChem CID67202315
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name2-fluoro-4-(2-methylsulfonylethyl)phenol
SMILESCS(=O)(=O)CCc1ccc(O)c(F)c1
InChIInChI=1S/C9H11FO3S/c1-14(12,13)5-4-7-2-3-9(11)8(10)6-7/h2-3,6,11H,4-5H2,1H3
InChIKeyXWRIYWORVQFFPF-UHFFFAOYSA-N
XLogP1.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylsulfonylethyl)phenol?
The IUPAC name of 2-fluoro-4-(2-methylsulfonylethyl)phenol (CID 67202315) is 2-fluoro-4-(2-methylsulfonylethyl)phenol.
What is the SMILES notation for 2-fluoro-4-(2-methylsulfonylethyl)phenol?
The canonical SMILES for 2-fluoro-4-(2-methylsulfonylethyl)phenol is CS(=O)(=O)CCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methylsulfonylethyl)phenol?
The InChIKey is XWRIYWORVQFFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-14(12,13)5-4-7-2-3-9(11)8(10)6-7/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-fluoro-4-(2-methylsulfonylethyl)phenol?
2-fluoro-4-(2-methylsulfonylethyl)phenol has a molecular weight of 218.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylsulfonylethyl)phenol is sourced from PubChem (CID 67202315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).