1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H19FO5S — CID 106993087

IUPAC1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H19FO5S/c1-10(7-18-2)19-8-11(15)9-20(16,17)13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyZLSIEKLRRRIATR-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.01
Rot. Bonds8

About 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106993087) has the molecular formula C13H19FO5S and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106993087
Molecular FormulaC13H19FO5S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H19FO5S/c1-10(7-18-2)19-8-11(15)9-20(16,17)13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyZLSIEKLRRRIATR-UHFFFAOYSA-N
XLogP1.01
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993090
1-(2-chlorophenyl)sulfonyl-3-methoxypropan-2-ol
CID 107508912
1-(2-fluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992357
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
1-(ethylamino)-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 113317924
2-(2-fluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224424
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(1-methoxypropan-2-yloxy)-3-(2,4,6-trifluoroanilino)propan-2-ol
CID 106990092
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-benzylsulfonyl-3-methoxypropan-2-ol
CID 6456201
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64639033

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106993087) is 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CS(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is ZLSIEKLRRRIATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO5S/c1-10(7-18-2)19-8-11(15)9-20(16,17)13-6-4-3-5-12(13)14/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 306.35 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106993087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).