1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol

C11H15FO4S — CID 65151867

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
SMILESCOc1ccc(C(O)CCS(C)(=O)=O)cc1F
InChIInChI=1S/C11H15FO4S/c1-16-11-4-3-8(7-9(11)12)10(13)5-6-17(2,14)15/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyAGFACVASQJQHPI-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.30
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol

1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol (PubChem CID 65151867) has the molecular formula C11H15FO4S and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
PubChem CID65151867
Molecular FormulaC11H15FO4S
Molecular Weight262.30 g/mol
Exact Mass262.07
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
SMILESCOc1ccc(C(O)CCS(C)(=O)=O)cc1F
InChIInChI=1S/C11H15FO4S/c1-16-11-4-3-8(7-9(11)12)10(13)5-6-17(2,14)15/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyAGFACVASQJQHPI-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
1-(3-fluoro-4-methoxyphenyl)pentane-1,5-diol
CID 112509946
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
1-(3,4-dimethylphenyl)-3-methylsulfonylpropan-1-ol
CID 65148550
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
CID 65148590
1-(4-fluorophenyl)-3-methylsulfonylpropan-1-ol
CID 62606467
1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 115790708
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
3-(3-fluoro-4-methoxyphenyl)-N,3-dihydroxypropanamide
CID 71721752
3-methylsulfonyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65148029

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol (CID 65151867) is 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol is COc1ccc(C(O)CCS(C)(=O)=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
The InChIKey is AGFACVASQJQHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4S/c1-16-11-4-3-8(7-9(11)12)10(13)5-6-17(2,14)15/h3-4,7,10,13H,5-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol has a molecular weight of 262.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 65151867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).