1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one

C11H14O4S — CID 66838699

IUPAC1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C11H14O4S/c1-2-11(13)9-4-3-5-10(8-9)16(14,15)7-6-12/h3-5,8,12H,2,6-7H2,1H3
InChIKeyHFWSEUOZBASWKX-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.05
Rot. Bonds5

About 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one

1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one (PubChem CID 66838699) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
PubChem CID66838699
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C11H14O4S/c1-2-11(13)9-4-3-5-10(8-9)16(14,15)7-6-12/h3-5,8,12H,2,6-7H2,1H3
InChIKeyHFWSEUOZBASWKX-UHFFFAOYSA-N
XLogP1.05
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propanoylbenzenesulfonic acid
CID 148597255
1-(3-propylsulfonylphenyl)pentan-1-one
CID 83957480
2-(3-ethylphenyl)sulfonylethanol
CID 71143156
N-(2-hydroxyethyl)-3-propanoyl-N-propylbenzenesulfonamide
CID 61252203
N-[1-(hydroxymethyl)cyclopropyl]-3-propanoylbenzenesulfonamide
CID 115902801
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545
N-(1-hydroxy-3-methylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 106173679
N-(4-hydroxy-1-methoxybutan-2-yl)-3-propanoylbenzenesulfonamide
CID 103887543
3-butylsulfonylbenzoic acid
CID 43140519
N-(4-hydroxy-2,2-dimethylbutyl)-3-propanoylbenzenesulfonamide
CID 103836509
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
2-(3-propan-2-ylphenyl)sulfonylethanol
CID 90145821

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one (CID 66838699) is 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one is CCC(=O)c1cccc(S(=O)(=O)CCO)c1.
What is the InChIKey of 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one?
The InChIKey is HFWSEUOZBASWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-2-11(13)9-4-3-5-10(8-9)16(14,15)7-6-12/h3-5,8,12H,2,6-7H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one?
1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one has a molecular weight of 242.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one is sourced from PubChem (CID 66838699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).