1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl) ethanone

C12H16O5SCAS 1450657-28-9272.31 g/mol

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EtherKetoneSulfone

Properties

Molecular formula
C12H16O5S
Molar mass
272.31 g/mol
Exact mass
272.0718 Da
logP
1.32Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1450657-28-9
SMILES
CCOC1=C(C=CC(=C1)C(=O)CS(=O)(=O)C)OC
InChIKey
NDPZMKPHRVBCLF-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O5S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7H,4,8H2,1-3H3

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Names and synonyms

1 names
  • 1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanone

Work with 1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl) ethanone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Ethoxy-4-methoxybenzoic acid2651-55-057 % similar Propioveratrone1835-04-753 % similar 1-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine253168-94-453 % similar (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine608141-42-053 % similar 3-(3,4-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester4687-37-052 % similar 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone1835-02-549 % similar 3,4-Diethoxybenzoic acid5409-31-446 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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