3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol

C12H17FO3S — CID 111437333

IUPAC3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol
SMILESCCC(c1ccc(F)cc1)S(=O)(=O)CCCO
InChIInChI=1S/C12H17FO3S/c1-2-12(17(15,16)9-3-8-14)10-4-6-11(13)7-5-10/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyFHGIAZLCJXYPGG-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.07
Rot. Bonds6

About 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol

3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol (PubChem CID 111437333) has the molecular formula C12H17FO3S and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol
PubChem CID111437333
Molecular FormulaC12H17FO3S
Molecular Weight260.33 g/mol
Exact Mass260.09
IUPAC Name3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol
SMILESCCC(c1ccc(F)cc1)S(=O)(=O)CCCO
InChIInChI=1S/C12H17FO3S/c1-2-12(17(15,16)9-3-8-14)10-4-6-11(13)7-5-10/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyFHGIAZLCJXYPGG-UHFFFAOYSA-N
XLogP2.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)propylsulfonyl]ethanol
CID 111437334
5-ethylsulfonyl-2-(4-fluorophenyl)pentan-1-ol
CID 79437908
4-[bis(4-fluorophenyl)methylsulfonyl]-N,N-dimethylbutanamide
CID 47035175
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
2-[1-(4-fluorophenyl)propylamino]ethanol
CID 43151168
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81349027
2-benzylsulfonyl-2-(4-fluorophenyl)ethanol
CID 69294013
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
2-bromo-1-(4-fluorophenyl)-2-methylsulfonylbutan-1-ol
CID 102550506
N-[(4-fluorophenyl)methyl]-3-hydroxypropane-1-sulfonamide
CID 94689041
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol?
The IUPAC name of 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol (CID 111437333) is 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol?
The canonical SMILES for 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol is CCC(c1ccc(F)cc1)S(=O)(=O)CCCO.
What is the InChIKey of 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol?
The InChIKey is FHGIAZLCJXYPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S/c1-2-12(17(15,16)9-3-8-14)10-4-6-11(13)7-5-10/h4-7,12,14H,2-3,8-9H2,1H3.
What are the key properties of 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol?
3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol has a molecular weight of 260.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)propylsulfonyl]propan-1-ol is sourced from PubChem (CID 111437333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).