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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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).