1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol

C10H13FO3S — CID 62606467

IUPAC1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ccc(F)cc1
InChIInChI=1S/C10H13FO3S/c1-15(13,14)7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10,12H,6-7H2,1H3
InChIKeyQFRJLHJFNWHUGX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.29
Rot. Bonds4

About 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol

1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol (PubChem CID 62606467) has the molecular formula C10H13FO3S and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
PubChem CID62606467
Molecular FormulaC10H13FO3S
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Name1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ccc(F)cc1
InChIInChI=1S/C10H13FO3S/c1-15(13,14)7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10,12H,6-7H2,1H3
InChIKeyQFRJLHJFNWHUGX-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 79437654
N-[3-(4-fluorophenyl)-3-hydroxypropyl]propane-1-sulfonamide
CID 110665794
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65151867
4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
CID 115351041
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
CID 114983817
(1S)-3-chloro-1-(4-fluorophenyl)propan-1-ol
CID 11480918
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol (CID 62606467) is 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol is CS(=O)(=O)CCC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol?
The InChIKey is QFRJLHJFNWHUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3S/c1-15(13,14)7-6-10(12)8-2-4-9(11)5-3-8/h2-5,10,12H,6-7H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol?
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol has a molecular weight of 232.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 62606467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).