2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone

C17H24O2S — CID 64639953

IUPAC2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CS(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24O2S/c1-13(2)14-8-10-15(11-9-14)17(18)12-20(19)16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyVSFIGLISITUNFS-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.07
Rot. Bonds5

About 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone

2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 64639953) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID64639953
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CS(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H24O2S/c1-13(2)14-8-10-15(11-9-14)17(18)12-20(19)16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3
InChIKeyVSFIGLISITUNFS-UHFFFAOYSA-N
XLogP4.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone (CID 64639953) is 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CS(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is VSFIGLISITUNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-13(2)14-8-10-15(11-9-14)17(18)12-20(19)16-6-4-3-5-7-16/h8-11,13,16H,3-7,12H2,1-2H3.
What are the key properties of 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone?
2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 292.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 64639953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).