2′,5′-Dimethoxyacetophenone

C₁₀H₁₂O₃CAS 1201-38-3180.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
Melting point: 20–22 °C
Boiling point: 167 °C (at 16 Torr)
logP: 1.91Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

1201-38-3

SMILES

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

InChIKey

FAXUIYJKGGUCBO-UHFFFAOYSA-N

InChI

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

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Names and synonyms

5 names

Ethanone, 1-(2,5-dimethoxyphenyl)-
Acetophenone, 2′,5′-dimethoxy-
1-(2,5-Dimethoxyphenyl)ethanone
Methyl 2,5-dimethoxyphenyl ketone
NSC 62094

Work with 2′,5′-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 Isotope patternExact mass and the mass spectrum pattern

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3,4-Dimethoxyacetophenone1131-62-0 4-Ethoxy-3-methoxybenzaldehyde120-25-2 4-(1-Methylethoxy)benzoic acid13205-46-4 2-(2,4-Dimethylphenoxy)acetic acid13334-49-1

Elsewhere

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