2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one

C17H18O4S — CID 102549966

IUPAC2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one
SMILESCCS(=O)(=O)C(CO)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O4S/c1-2-22(20,21)16(12-18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16,18H,2,12H2,1H3
InChIKeyZKFQKJKCWHILCB-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.33
Rot. Bonds6

About 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one

2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one (PubChem CID 102549966) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one
PubChem CID102549966
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Name2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one
SMILESCCS(=O)(=O)C(CO)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O4S/c1-2-22(20,21)16(12-18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16,18H,2,12H2,1H3
InChIKeyZKFQKJKCWHILCB-UHFFFAOYSA-N
XLogP2.33
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminophenyl)-2-ethylsulfonyl-3-hydroxypropan-1-one
CID 102549968
1-(4-chlorophenyl)-2-ethylsulfonyl-3-hydroxypropan-1-one
CID 102549969
1-(4-aminophenyl)-2-ethylsulfonylbutan-1-one
CID 102549650
2-iodo-2-methylsulfonyl-1-(4-phenylphenyl)ethanone
CID 102549568
2-ethylsulfonyl-1-(4-methoxyphenyl)butan-1-one
CID 102549663
2-(4-phenylbenzoyl)butanenitrile
CID 116923686
3-(ethylamino)-4-oxo-4-(4-phenylphenyl)butanoic acid
CID 82348090
ethane;4-phenylbenzoic acid;propane
CID 156791718
1-(4-aminophenyl)-3-hydroxy-2-methylsulfonylpropan-1-one
CID 102549946
N-ethylsulfonyl-4-phenylbenzamide
CID 140633529
2-(benzenesulfonyl)-1-(4-methoxyphenyl)butan-1-one
CID 10734330
ethyl 3-oxo-2-(4-phenylbenzoyl)butanoate
CID 2756667

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one (CID 102549966) is 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one is CCS(=O)(=O)C(CO)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one?
The InChIKey is ZKFQKJKCWHILCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4S/c1-2-22(20,21)16(12-18)17(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16,18H,2,12H2,1H3.
What are the key properties of 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one?
2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one has a molecular weight of 318.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-3-hydroxy-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 102549966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).