1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol

C11H15FO4S — CID 64717111

IUPAC1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESCCOCC(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO4S/c1-2-16-7-10(13)8-17(14,15)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3
InChIKeyDCAUQVKQABMMQI-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.00
Rot. Bonds6

About 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol

1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol (PubChem CID 64717111) has the molecular formula C11H15FO4S and a molecular weight of 262.30 g/mol. Its IUPAC name is 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
PubChem CID64717111
Molecular FormulaC11H15FO4S
Molecular Weight262.30 g/mol
Exact Mass262.07
IUPAC Name1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESCCOCC(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO4S/c1-2-16-7-10(13)8-17(14,15)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3
InChIKeyDCAUQVKQABMMQI-UHFFFAOYSA-N
XLogP1.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993090
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
1-(4-fluorophenyl)sulfonyl-3-methoxy-3-methylbutan-2-ol
CID 114228870
1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol
CID 64716279
1-(4-bromophenyl)sulfonylbutan-2-ol
CID 106584994
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
1-(4-fluorophenyl)-2-(4-methylphenyl)sulfonylethanol
CID 72829286
1-[2-(bromomethyl)butylsulfonyl]-4-fluorobenzene
CID 65000282
4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]sulfonylmethyl]heptane-2,6-dione
CID 70924329
1-(benzenesulfonyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 3799276

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The IUPAC name of 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol (CID 64717111) is 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol is CCOCC(O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol?
The InChIKey is DCAUQVKQABMMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO4S/c1-2-16-7-10(13)8-17(14,15)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3.
What are the key properties of 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol?
1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 64717111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).