2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone

C11H14O5S — CID 66871472

IUPAC2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone
SMILESCOCC(=O)c1ccc(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H14O5S/c1-15-7-9(12)8-4-5-10(16-2)11(6-8)17(3,13)14/h4-6H,7H2,1-3H3
InChIKeyUBYPQNDKFFEKCG-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.93
Rot. Bonds5

About 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone

2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone (PubChem CID 66871472) has the molecular formula C11H14O5S and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone
PubChem CID66871472
Molecular FormulaC11H14O5S
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Name2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone
SMILESCOCC(=O)c1ccc(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C11H14O5S/c1-15-7-9(12)8-4-5-10(16-2)11(6-8)17(3,13)14/h4-6H,7H2,1-3H3
InChIKeyUBYPQNDKFFEKCG-UHFFFAOYSA-N
XLogP0.93
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methylsulfonylbenzoyl iodide
CID 137414165
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
CID 110416415
1-(4-fluorophenyl)-2-(4-methoxy-3-methylsulfonylphenyl)ethanone
CID 165436373
[2-[4-methoxy-3-(methoxymethyl)phenyl]-2-oxoethyl] methanesulfonate
CID 87402975
4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
CID 110610417
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 8568876
1-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105094334
2-methoxy-N-pentyl-5-propanoylbenzenesulfonamide
CID 39454552
N-(3-bromophenyl)-4-methoxy-3-methylsulfonylbenzamide
CID 110425977
4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone (CID 66871472) is 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone is COCC(=O)c1ccc(OC)c(S(C)(=O)=O)c1.
What is the InChIKey of 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone?
The InChIKey is UBYPQNDKFFEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5S/c1-15-7-9(12)8-4-5-10(16-2)11(6-8)17(3,13)14/h4-6H,7H2,1-3H3.
What are the key properties of 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone?
2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone has a molecular weight of 258.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-3-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 66871472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).