1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol

C13H19FO5S — CID 106993090

IUPAC1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FO5S/c1-10(7-18-2)19-8-12(15)9-20(16,17)13-5-3-11(14)4-6-13/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyZNYMWOONFDYZHF-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.01
Rot. Bonds8

About 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106993090) has the molecular formula C13H19FO5S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106993090
Molecular FormulaC13H19FO5S
Molecular Weight306.36 g/mol
Exact Mass306.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H19FO5S/c1-10(7-18-2)19-8-12(15)9-20(16,17)13-5-3-11(14)4-6-13/h3-6,10,12,15H,7-9H2,1-2H3
InChIKeyZNYMWOONFDYZHF-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 ≤ 500306.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993087
1-ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 64717111
1-(benzenesulfonyl)-3-methoxypropan-2-ol
CID 107508907
1-(4-fluorophenyl)sulfonyl-3-methoxy-3-methylbutan-2-ol
CID 114228870
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 1485361
3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 71857042
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
1-(2,5-difluorophenyl)sulfanyl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992404
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
(2S)-1-(2-chloro-4-fluorophenoxy)-3-(4-chlorophenyl)sulfonylpropan-2-ol
CID 1485345
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106993090) is 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is ZNYMWOONFDYZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO5S/c1-10(7-18-2)19-8-12(15)9-20(16,17)13-5-3-11(14)4-6-13/h3-6,10,12,15H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 306.36 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-(4-fluorophenyl)sulfonyl-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106993090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).