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

C11H15FO3S — CID 64716279

IUPAC1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol
SMILESCCOCC(O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO3S/c1-2-15-7-10(13)8-16(14)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3
InChIKeyLFKUMASENPAPCA-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.33
Rot. Bonds6

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

1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol (PubChem CID 64716279) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol
PubChem CID64716279
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol
SMILESCCOCC(O)CS(=O)c1ccc(F)cc1
InChIInChI=1S/C11H15FO3S/c1-2-15-7-10(13)8-16(14)11-5-3-9(12)4-6-11/h3-6,10,13H,2,7-8H2,1H3
InChIKeyLFKUMASENPAPCA-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol?
The IUPAC name of 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol (CID 64716279) is 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol is CCOCC(O)CS(=O)c1ccc(F)cc1.
What is the InChIKey of 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol?
The InChIKey is LFKUMASENPAPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S/c1-2-15-7-10(13)8-16(14)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)sulfinylpropan-2-ol?
1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol has a molecular weight of 246.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(4-fluorophenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 64716279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).