2′,4′-Dimethoxyacetophenone

C₁₀H₁₂O₃CAS 829-20-9180.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
Melting point: 40 °C
Boiling point: 288 °C
logP: 1.91Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

829-20-9

SMILES

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

InChIKey

VQTDPCRSXHFMOL-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Ethanone, 1-(2,4-dimethoxyphenyl)-
Acetophenone, 2′,4′-dimethoxy-
Acetophenone, 2,4-dimethoxy-
1-(2,4-Dimethoxyphenyl)ethanone
NSC 46645
4-Acetyl-1,3-dimethoxybenzene
1-(2,4-Dimethoxyphenyl)ethan-1-one

Work with 2′,4′-Dimethoxyacetophenone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-866 % similar Paeonol552-41-066 % similar Methyl 2,4-dimethoxybenzoate2150-41-663 % similar 2,4-Dimethoxybenzoic acid91-52-163 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-761 % similar 2′-Methoxyacetophenone579-74-861 % similar 2-Bromo-1-(2,4-dimethoxyphenyl)ethanone60965-26-658 % similar 2′,3′,4′-Trimethoxyacetophenone13909-73-457 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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