2-[1-(4-fluorophenyl)propylsulfonyl]ethanol

C11H15FO3S — CID 71857027

IUPAC2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
SMILESCCC(c1ccc(F)cc1)S(=O)(=O)CCO
InChIInChI=1S/C11H15FO3S/c1-2-11(16(14,15)8-7-13)9-3-5-10(12)6-4-9/h3-6,11,13H,2,7-8H2,1H3
InChIKeyAJZCMJIGDINLMA-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.68
Rot. Bonds5

About 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol

2-[1-(4-fluorophenyl)propylsulfonyl]ethanol (PubChem CID 71857027) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
PubChem CID71857027
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
SMILESCCC(c1ccc(F)cc1)S(=O)(=O)CCO
InChIInChI=1S/C11H15FO3S/c1-2-11(16(14,15)8-7-13)9-3-5-10(12)6-4-9/h3-6,11,13H,2,7-8H2,1H3
InChIKeyAJZCMJIGDINLMA-UHFFFAOYSA-N
XLogP1.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol (CID 71857027) is 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol is CCC(c1ccc(F)cc1)S(=O)(=O)CCO.
What is the InChIKey of 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
The InChIKey is AJZCMJIGDINLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S/c1-2-11(16(14,15)8-7-13)9-3-5-10(12)6-4-9/h3-6,11,13H,2,7-8H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
2-[1-(4-fluorophenyl)propylsulfonyl]ethanol has a molecular weight of 246.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propylsulfonyl]ethanol is sourced from PubChem (CID 71857027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).