3-fluoro-4-(1-methylsulfonylethyl)phenol

C9H11FO3S — CID 151775993

IUPAC3-fluoro-4-(1-methylsulfonylethyl)phenol
SMILESCC(c1ccc(O)cc1F)S(C)(=O)=O
InChIInChI=1S/C9H11FO3S/c1-6(14(2,12)13)8-4-3-7(11)5-9(8)10/h3-6,11H,1-2H3
InChIKeyRTOZVCSKXGTCHT-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.64
Rot. Bonds2

About 3-fluoro-4-(1-methylsulfonylethyl)phenol

3-fluoro-4-(1-methylsulfonylethyl)phenol (PubChem CID 151775993) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-fluoro-4-(1-methylsulfonylethyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(1-methylsulfonylethyl)phenol
PubChem CID151775993
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name3-fluoro-4-(1-methylsulfonylethyl)phenol
SMILESCC(c1ccc(O)cc1F)S(C)(=O)=O
InChIInChI=1S/C9H11FO3S/c1-6(14(2,12)13)8-4-3-7(11)5-9(8)10/h3-6,11H,1-2H3
InChIKeyRTOZVCSKXGTCHT-UHFFFAOYSA-N
XLogP1.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-methylsulfonylethyl)phenol?
The IUPAC name of 3-fluoro-4-(1-methylsulfonylethyl)phenol (CID 151775993) is 3-fluoro-4-(1-methylsulfonylethyl)phenol.
What is the SMILES notation for 3-fluoro-4-(1-methylsulfonylethyl)phenol?
The canonical SMILES for 3-fluoro-4-(1-methylsulfonylethyl)phenol is CC(c1ccc(O)cc1F)S(C)(=O)=O.
What is the InChIKey of 3-fluoro-4-(1-methylsulfonylethyl)phenol?
The InChIKey is RTOZVCSKXGTCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-6(14(2,12)13)8-4-3-7(11)5-9(8)10/h3-6,11H,1-2H3.
What are the key properties of 3-fluoro-4-(1-methylsulfonylethyl)phenol?
3-fluoro-4-(1-methylsulfonylethyl)phenol has a molecular weight of 218.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-methylsulfonylethyl)phenol is sourced from PubChem (CID 151775993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).