Methyl 2-methoxy-5-(methylsulfonyl)benzoate

C₁₀H₁₂O₅SCAS 63484-12-8244.26 g/mol

Open in Covalent MOL file

Ester Ether Sulfone

Properties

Molecular formula: C₁₀H₁₂O₅S
Molar mass: 244.26 g/mol
Exact mass: 244.0405 Da
logP: 0.89Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Identifiers

CAS number

63484-12-8

SMILES

COC(=O)c1cc(S(C)(=O)=O)ccc1OC

InChIKey

DSRPTFIZJVCPPS-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O5S/c1-14-9-5-4-7(16(3,12)13)6-8(9)10(11)15-2/h4-6H,1-3H3

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Names and synonyms

1 names

Benzoic acid, 2-methoxy-5-(methylsulfonyl)-, methyl ester

Work with Methyl 2-methoxy-5-(methylsulfonyl)benzoate

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

Methyl 2-methoxy-5-sulfamoylbenzoate33045-52-269 % similar 2-Methoxy-5-(methylsulfonyl)benzoic acid50390-76-667 % similar Methyl 5-(ethylsulfonyl)-2-methoxybenzoate62140-67-466 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-057 % similar Methyl 2-methoxybenzoate606-45-153 % similar Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-552 % similar Methyl 2-methoxy-5-nitrobenzoate34841-11-751 % similar Tiapride51012-32-951 % similar

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

Same formula

5-(Ethylsulfonyl)-2-methoxybenzoic acid4840-63-5

Elsewhere

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