3-fluoro-4-(methylsulfonylmethyl)phenol

C8H9FO3S — CID 59201277

IUPAC3-fluoro-4-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccc(O)cc1F
InChIInChI=1S/C8H9FO3S/c1-13(11,12)5-6-2-3-7(10)4-8(6)9/h2-4,10H,5H2,1H3
InChIKeyHYOKUKIYFQAMKP-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.08
Rot. Bonds2

About 3-fluoro-4-(methylsulfonylmethyl)phenol

3-fluoro-4-(methylsulfonylmethyl)phenol (PubChem CID 59201277) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 3-fluoro-4-(methylsulfonylmethyl)phenol.

Molecular Properties

Compound Name3-fluoro-4-(methylsulfonylmethyl)phenol
PubChem CID59201277
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name3-fluoro-4-(methylsulfonylmethyl)phenol
SMILESCS(=O)(=O)Cc1ccc(O)cc1F
InChIInChI=1S/C8H9FO3S/c1-13(11,12)5-6-2-3-7(10)4-8(6)9/h2-4,10H,5H2,1H3
InChIKeyHYOKUKIYFQAMKP-UHFFFAOYSA-N
XLogP1.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(methylsulfonylmethyl)phenol?
The IUPAC name of 3-fluoro-4-(methylsulfonylmethyl)phenol (CID 59201277) is 3-fluoro-4-(methylsulfonylmethyl)phenol.
What is the SMILES notation for 3-fluoro-4-(methylsulfonylmethyl)phenol?
The canonical SMILES for 3-fluoro-4-(methylsulfonylmethyl)phenol is CS(=O)(=O)Cc1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-(methylsulfonylmethyl)phenol?
The InChIKey is HYOKUKIYFQAMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c1-13(11,12)5-6-2-3-7(10)4-8(6)9/h2-4,10H,5H2,1H3.
What are the key properties of 3-fluoro-4-(methylsulfonylmethyl)phenol?
3-fluoro-4-(methylsulfonylmethyl)phenol has a molecular weight of 204.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(methylsulfonylmethyl)phenol is sourced from PubChem (CID 59201277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).