1-(4-ethylphenyl)-2-propylsulfonylethanone

C13H18O3S — CID 64641647

IUPAC1-(4-ethylphenyl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H18O3S/c1-3-9-17(15,16)10-13(14)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUFLOXJTVGJYZIB-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.26
Rot. Bonds6

About 1-(4-ethylphenyl)-2-propylsulfonylethanone

1-(4-ethylphenyl)-2-propylsulfonylethanone (PubChem CID 64641647) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-propylsulfonylethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-propylsulfonylethanone
PubChem CID64641647
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name1-(4-ethylphenyl)-2-propylsulfonylethanone
SMILESCCCS(=O)(=O)CC(=O)c1ccc(CC)cc1
InChIInChI=1S/C13H18O3S/c1-3-9-17(15,16)10-13(14)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUFLOXJTVGJYZIB-UHFFFAOYSA-N
XLogP2.26
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-(3-methylbutylsulfonyl)ethanone
CID 107767926
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
1-(4-methylphenyl)-2-pentylsulfonylethanone
CID 107764438
1-(4-bromophenyl)-2-butylsulfonylethanone
CID 64636338
1-(4-ethylphenyl)hexane-1,3-dione
CID 61393286
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
2-ethylsulfonyl-1-phenylethanone
CID 19033550
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
1-(4-ethylphenyl)-3-methylidenepentan-1-one
CID 66044562
4-[2-(4-methylphenyl)-2-oxoethyl]sulfonylbutan-2-one
CID 83970901
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
2-butylsulfonyl-1-(3,4-dichlorophenyl)ethanone
CID 64637858

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-propylsulfonylethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-propylsulfonylethanone (CID 64641647) is 1-(4-ethylphenyl)-2-propylsulfonylethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-propylsulfonylethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-propylsulfonylethanone is CCCS(=O)(=O)CC(=O)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-propylsulfonylethanone?
The InChIKey is UFLOXJTVGJYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-3-9-17(15,16)10-13(14)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-propylsulfonylethanone?
1-(4-ethylphenyl)-2-propylsulfonylethanone has a molecular weight of 254.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-propylsulfonylethanone is sourced from PubChem (CID 64641647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).