2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol

C11H15FO3S — CID 79437654

IUPAC2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCC(CO)c1ccc(F)cc1
InChIInChI=1S/C11H15FO3S/c1-16(14,15)7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10,13H,6-8H2,1H3
InChIKeyNIODIZMOLJHUAR-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.34
Rot. Bonds5

About 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol

2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol (PubChem CID 79437654) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
PubChem CID79437654
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCC(CO)c1ccc(F)cc1
InChIInChI=1S/C11H15FO3S/c1-16(14,15)7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10,13H,6-8H2,1H3
InChIKeyNIODIZMOLJHUAR-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol (CID 79437654) is 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCC(CO)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is NIODIZMOLJHUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S/c1-16(14,15)7-6-10(8-13)9-2-4-11(12)5-3-9/h2-5,10,13H,6-8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol?
2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 246.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 79437654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).