2-Bromo-1-(2,4-dimethoxyphenyl)ethanone

C₁₀H₁₁BrO₃CAS 60965-26-6259.10 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₀H₁₁BrO₃
Molar mass: 259.10 g/mol
Exact mass: 257.9892 Da
Melting point: 101–102 °C
logP: 2.28Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

60965-26-6

SMILES

COc1ccc(C(=O)CBr)c(OC)c1

InChIKey

PKVBZABQCCQHLD-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3

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Names and synonyms

5 names

Ethanone, 2-bromo-1-(2,4-dimethoxyphenyl)-
2-Bromo-2′,4′-dimethoxyacetophenone
2,4-Dimethoxyphenacyl bromide
NSC 158566
2-Bromo-1-(2,4-dimethoxyphenyl)ethan-1-one

Work with 2-Bromo-1-(2,4-dimethoxyphenyl)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

2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-065 % similar 4-Methoxyphenacyl bromide2632-13-559 % similar 2′,4′-Dimethoxyacetophenone829-20-958 % similar 2-Bromo-3′-methoxyacetophenone5000-65-757 % similar Methyl 2,4-dimethoxybenzoate2150-41-656 % similar 2,4-Dimethoxybenzoic acid91-52-156 % similar 1-(2,5-Dimethoxyphenyl)-1-propanone5803-30-554 % similar 5-Methoxy-1-indanone5111-70-651 % similar

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

Same formula

2-Bromo-2′,5′-dimethoxyacetophenone1204-21-3 Methyl 4-(bromomethyl)-3-methoxybenzoate70264-94-7

Elsewhere

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