4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one

C15H20O3S — CID 114974523

IUPAC4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20O3S/c1-2-19(17,18)10-6-9-15(16)14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyGLDYZVRUEXZWJM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.57
Rot. Bonds7

About 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one

4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one (PubChem CID 114974523) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one
PubChem CID114974523
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one
SMILESCCS(=O)(=O)CCCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H20O3S/c1-2-19(17,18)10-6-9-15(16)14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
InChIKeyGLDYZVRUEXZWJM-UHFFFAOYSA-N
XLogP2.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one
CID 65420809
1-(2-phenylcyclopropyl)hex-5-en-1-one
CID 114974761
3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one
CID 10708009
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
CID 116574742
3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanenitrile
CID 86694682
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one?
The IUPAC name of 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one (CID 114974523) is 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one?
The canonical SMILES for 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one is CCS(=O)(=O)CCCC(=O)C1CC1c1ccccc1.
What is the InChIKey of 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one?
The InChIKey is GLDYZVRUEXZWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c1-2-19(17,18)10-6-9-15(16)14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one?
4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one has a molecular weight of 280.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one is sourced from PubChem (CID 114974523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).