2',5'-Dimethoxyacetophenone

C₁₀H₁₂O₃CAS 1201-38-3180.20 g/mol

Open in Covalent MOL file

Ether Ketone

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

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

Names and synonyms

6 names

2′,5′-Dimethoxyacetophenone
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

Similar compounds

2′,4′-Dimethoxyacetophenone829-20-975 % similar 1-(2-Amino-4-methoxyphenyl)ethan-1-one42465-53-267 % similar 5-Fluoro-2-methoxyacetophenone445-82-966 % similar 1-(5-Chloro-2-methoxyphenyl)ethanone6342-64-966 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-766 % similar 2,5-Dimethoxybenzoyl chloride17918-14-863 % similar 2,5-Dimethoxybenzoic acid2785-98-063 % similar Paeonol552-41-061 % 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 4-Ethoxy-3-methoxybenzaldehyde120-25-2 4-(1-Methylethoxy)benzoic acid13205-46-4

Elsewhere

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