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

C17H18F2O3S — CID 111437334

IUPAC1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
SMILESCCC(c1ccc(F)cc1)S(=O)(=O)CC(O)c1ccc(F)cc1
InChIInChI=1S/C17H18F2O3S/c1-2-17(13-5-9-15(19)10-6-13)23(21,22)11-16(20)12-3-7-14(18)8-4-12/h3-10,16-17,20H,2,11H2,1H3
InChIKeyBUDOBHSYTBHUDV-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.56
Rot. Bonds6

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

1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol (PubChem CID 111437334) has the molecular formula C17H18F2O3S and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
PubChem CID111437334
Molecular FormulaC17H18F2O3S
Molecular Weight340.39 g/mol
Exact Mass340.09
IUPAC Name1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
SMILESCCC(c1ccc(F)cc1)S(=O)(=O)CC(O)c1ccc(F)cc1
InChIInChI=1S/C17H18F2O3S/c1-2-17(13-5-9-15(19)10-6-13)23(21,22)11-16(20)12-3-7-14(18)8-4-12/h3-10,16-17,20H,2,11H2,1H3
InChIKeyBUDOBHSYTBHUDV-UHFFFAOYSA-N
XLogP3.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol
CID 111437333
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
2-(benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
2-[(4-chlorophenyl)methylsulfonyl]-1-(4-fluorophenyl)ethanol
CID 47561636
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
CID 47559298
(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
CID 174650896
2-bromo-1-(4-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550506
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol (CID 111437334) is 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol is CCC(c1ccc(F)cc1)S(=O)(=O)CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
The InChIKey is BUDOBHSYTBHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O3S/c1-2-17(13-5-9-15(19)10-6-13)23(21,22)11-16(20)12-3-7-14(18)8-4-12/h3-10,16-17,20H,2,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol?
1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol has a molecular weight of 340.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol is sourced from PubChem (CID 111437334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).