1-[4-(methylsulfonylmethoxy)phenyl]ethanone

C10H12O4S — CID 175083544

IUPAC1-[4-(methylsulfonylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCS(C)(=O)=O)cc1
InChIInChI=1S/C10H12O4S/c1-8(11)9-3-5-10(6-4-9)14-7-15(2,12)13/h3-6H,7H2,1-2H3
InChIKeyMNKSMLYDGMZQHX-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.27
Rot. Bonds4

About 1-[4-(methylsulfonylmethoxy)phenyl]ethanone

1-[4-(methylsulfonylmethoxy)phenyl]ethanone (PubChem CID 175083544) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[4-(methylsulfonylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(methylsulfonylmethoxy)phenyl]ethanone
PubChem CID175083544
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name1-[4-(methylsulfonylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(OCS(C)(=O)=O)cc1
InChIInChI=1S/C10H12O4S/c1-8(11)9-3-5-10(6-4-9)14-7-15(2,12)13/h3-6H,7H2,1-2H3
InChIKeyMNKSMLYDGMZQHX-UHFFFAOYSA-N
XLogP1.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(methylsulfonylmethoxy)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-(iodomethoxy)phenyl]ethanone
CID 118233287
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
2-(4-acetylphenoxy)ethylboronic acid
CID 130141835
methanesulfonic acid;bis(1-[4-[4-(4-methylphenoxy)phenoxy]phenyl]ethanone)
CID 158564217
methanesulfonic acid;1-[4-(4-methylphenoxy)phenyl]ethanone
CID 90969067
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
potassium (4-acetylphenyl) sulfate
CID 23679874
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylsulfonylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(methylsulfonylmethoxy)phenyl]ethanone (CID 175083544) is 1-[4-(methylsulfonylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(methylsulfonylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(methylsulfonylmethoxy)phenyl]ethanone is CC(=O)c1ccc(OCS(C)(=O)=O)cc1.
What is the InChIKey of 1-[4-(methylsulfonylmethoxy)phenyl]ethanone?
The InChIKey is MNKSMLYDGMZQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-8(11)9-3-5-10(6-4-9)14-7-15(2,12)13/h3-6H,7H2,1-2H3.
What are the key properties of 1-[4-(methylsulfonylmethoxy)phenyl]ethanone?
1-[4-(methylsulfonylmethoxy)phenyl]ethanone has a molecular weight of 228.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylsulfonylmethoxy)phenyl]ethanone is sourced from PubChem (CID 175083544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).