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

C11H15FO3S — CID 65145426

IUPAC2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol
SMILESCC(O)(CCS(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C11H15FO3S/c1-11(13,7-8-16(2,14)15)9-5-3-4-6-10(9)12/h3-6,13H,7-8H2,1-2H3
InChIKeyQRMLEDPMKHRQLK-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.47
Rot. Bonds4

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

2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol (PubChem CID 65145426) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol
PubChem CID65145426
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol
SMILESCC(O)(CCS(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C11H15FO3S/c1-11(13,7-8-16(2,14)15)9-5-3-4-6-10(9)12/h3-6,13H,7-8H2,1-2H3
InChIKeyQRMLEDPMKHRQLK-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-4-methylsulfonylbutan-2-ol
CID 65145061
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
2-(2-fluorophenyl)hept-5-yn-2-ol
CID 104809268
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
2-(2-fluorophenyl)-1-(methylamino)propan-2-ol
CID 62774362
3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
CID 114209768
2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
CID 65144889
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 105402442
1-[4-tert-butylsulfonyl-1-chloro-2-(chloromethyl)butan-2-yl]-2-fluorobenzene
CID 106734883
(2S)-2-(2-fluorophenyl)-2-hydroxypropanoic acid
CID 55255014
2-(2-chlorophenyl)-4-methylsulfonylbutan-2-amine
CID 62621254
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol?
The IUPAC name of 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol (CID 65145426) is 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol?
The canonical SMILES for 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol is CC(O)(CCS(C)(=O)=O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol?
The InChIKey is QRMLEDPMKHRQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S/c1-11(13,7-8-16(2,14)15)9-5-3-4-6-10(9)12/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol?
2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol has a molecular weight of 246.30 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol is sourced from PubChem (CID 65145426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).