3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol

C10H13FO3S — CID 117336179

IUPAC3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1cc(F)cc(CCCO)c1
InChIInChI=1S/C10H13FO3S/c1-15(13,14)10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4H2,1H3
InChIKeyNYBJKHOUEBBNOZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.15
Rot. Bonds4

About 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol

3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol (PubChem CID 117336179) has the molecular formula C10H13FO3S and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol
PubChem CID117336179
Molecular FormulaC10H13FO3S
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Name3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1cc(F)cc(CCCO)c1
InChIInChI=1S/C10H13FO3S/c1-15(13,14)10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4H2,1H3
InChIKeyNYBJKHOUEBBNOZ-UHFFFAOYSA-N
XLogP1.15
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol (CID 117336179) is 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol is CS(=O)(=O)c1cc(F)cc(CCCO)c1.
What is the InChIKey of 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol?
The InChIKey is NYBJKHOUEBBNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3S/c1-15(13,14)10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4H2,1H3.
What are the key properties of 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol?
3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol has a molecular weight of 232.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 117336179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).