1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone

C12H15FO4S — CID 64641649

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C12H15FO4S/c1-3-6-18(15,16)8-11(14)10-7-9(13)4-5-12(10)17-2/h4-5,7H,3,6,8H2,1-2H3
InChIKeyBXGMGIPGDWUSTI-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.84
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone

1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone (PubChem CID 64641649) has the molecular formula C12H15FO4S and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
PubChem CID64641649
Molecular FormulaC12H15FO4S
Molecular Weight274.31 g/mol
Exact Mass274.07
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1cc(F)ccc1OC
InChIInChI=1S/C12H15FO4S/c1-3-6-18(15,16)8-11(14)10-7-9(13)4-5-12(10)17-2/h4-5,7H,3,6,8H2,1-2H3
InChIKeyBXGMGIPGDWUSTI-UHFFFAOYSA-N
XLogP1.84
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxypropylsulfonyl)ethanone
CID 64636580
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-fluoro-2-methoxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795594
1-(5-fluoro-2-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795412
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone
CID 64641787
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
2-[ethyl(2-hydroxyethyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 62052022
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60680062

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone (CID 64641649) is 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone is CCCS(=O)(=O)CC(=O)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone?
The InChIKey is BXGMGIPGDWUSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4S/c1-3-6-18(15,16)8-11(14)10-7-9(13)4-5-12(10)17-2/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone has a molecular weight of 274.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-propylsulfonylethanone is sourced from PubChem (CID 64641649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).