2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone

C15H22O3S — CID 64641777

IUPAC2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22O3S/c1-11(2)12-6-8-13(9-7-12)14(16)10-19(17,18)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyWSMOPJPYPORPRQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.21
Rot. Bonds4

About 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone

2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 64641777) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID64641777
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H22O3S/c1-11(2)12-6-8-13(9-7-12)14(16)10-19(17,18)15(3,4)5/h6-9,11H,10H2,1-5H3
InChIKeyWSMOPJPYPORPRQ-UHFFFAOYSA-N
XLogP3.21
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1-[4-(3,3-dimethylbutan-2-yl)phenyl]-2-ethylsulfonylethanone
CID 159142469
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
[dimethyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-λ4-sulfanyl] propane-1-sulfonate
CID 139974908
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
[dimethyl-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-λ4-sulfanyl] butane-1-sulfonate
CID 139975218
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
2,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-one
CID 62678406
2-(3,3-dimethylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 66234093

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone (CID 64641777) is 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is WSMOPJPYPORPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-11(2)12-6-8-13(9-7-12)14(16)10-19(17,18)15(3,4)5/h6-9,11H,10H2,1-5H3.
What are the key properties of 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone?
2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 282.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonyl-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 64641777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).