4-(ethylsulfonylmethyl)-3-fluorophenol

C9H11FO3S — CID 117219422

IUPAC4-(ethylsulfonylmethyl)-3-fluorophenol
SMILESCCS(=O)(=O)Cc1ccc(O)cc1F
InChIInChI=1S/C9H11FO3S/c1-2-14(12,13)6-7-3-4-8(11)5-9(7)10/h3-5,11H,2,6H2,1H3
InChIKeyINRJNOZXHUKYLN-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.47
Rot. Bonds3

About 4-(ethylsulfonylmethyl)-3-fluorophenol

4-(ethylsulfonylmethyl)-3-fluorophenol (PubChem CID 117219422) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(ethylsulfonylmethyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(ethylsulfonylmethyl)-3-fluorophenol
PubChem CID117219422
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name4-(ethylsulfonylmethyl)-3-fluorophenol
SMILESCCS(=O)(=O)Cc1ccc(O)cc1F
InChIInChI=1S/C9H11FO3S/c1-2-14(12,13)6-7-3-4-8(11)5-9(7)10/h3-5,11H,2,6H2,1H3
InChIKeyINRJNOZXHUKYLN-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylmethyl)-3-fluorophenol?
The IUPAC name of 4-(ethylsulfonylmethyl)-3-fluorophenol (CID 117219422) is 4-(ethylsulfonylmethyl)-3-fluorophenol.
What is the SMILES notation for 4-(ethylsulfonylmethyl)-3-fluorophenol?
The canonical SMILES for 4-(ethylsulfonylmethyl)-3-fluorophenol is CCS(=O)(=O)Cc1ccc(O)cc1F.
What is the InChIKey of 4-(ethylsulfonylmethyl)-3-fluorophenol?
The InChIKey is INRJNOZXHUKYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-2-14(12,13)6-7-3-4-8(11)5-9(7)10/h3-5,11H,2,6H2,1H3.
What are the key properties of 4-(ethylsulfonylmethyl)-3-fluorophenol?
4-(ethylsulfonylmethyl)-3-fluorophenol has a molecular weight of 218.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylmethyl)-3-fluorophenol is sourced from PubChem (CID 117219422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).