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

C₁₂H₁₆O₅SCAS 1450657-28-9272.31 g/mol

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Ether Ketone Sulfone

Properties

Molecular formula: C₁₂H₁₆O₅S
Molar mass: 272.31 g/mol
Exact mass: 272.0718 Da
logP: 1.32Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 6

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

Propioveratrone1835-04-753 % similar 3,4-Diethoxybenzoic acid5409-31-446 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-845 % similar 3,4-Methylenedioxypropiophenone28281-49-444 % similar 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone128306-96-743 % similar Propiovanillone1835-14-943 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-343 % similar 3-Benzyloxy-4-methoxybenzoic acid58452-00-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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