1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone

C12H16O3S — CID 148826894

IUPAC1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@@H](C)CS(C)(=O)=O)cc1
InChIInChI=1S/C12H16O3S/c1-9(8-16(3,14)15)11-4-6-12(7-5-11)10(2)13/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyOSXGKYJOWRRIPO-VIFPVBQESA-N
MW240.32 g/mol
LogP2.04
Rot. Bonds4

About 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone

1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone (PubChem CID 148826894) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone
PubChem CID148826894
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@@H](C)CS(C)(=O)=O)cc1
InChIInChI=1S/C12H16O3S/c1-9(8-16(3,14)15)11-4-6-12(7-5-11)10(2)13/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChIKeyOSXGKYJOWRRIPO-VIFPVBQESA-N
XLogP2.04
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone 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

1-[4-[(2R)-1-hydroperoxypropan-2-yl]phenyl]ethanone
CID 125477987
ethane;1-(4-propan-2-ylphenyl)ethanone
CID 143075063
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-[4-(2-methylsulfonylethylsulfanyl)phenyl]ethanone
CID 63658480
4-acetyl-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911235
3-[4-(4-acetylphenyl)phenyl]butyl acetate
CID 139763470
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(1-methoxyethyl)phenyl]ethanone
CID 12735290
2-(4-acetylphenyl)propanethioic S-acid
CID 87997644
1-[4-(methylsulfonylmethoxy)phenyl]ethanone
CID 175083544
1-[4-[(1R)-1-ethoxyethyl]phenyl]ethanone
CID 124500301

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone (CID 148826894) is 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone is CC(=O)c1ccc([C@@H](C)CS(C)(=O)=O)cc1.
What is the InChIKey of 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone?
The InChIKey is OSXGKYJOWRRIPO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O3S/c1-9(8-16(3,14)15)11-4-6-12(7-5-11)10(2)13/h4-7,9H,8H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone?
1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone has a molecular weight of 240.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone is sourced from PubChem (CID 148826894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).