1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one

C10H12O4CAS 5396-18-9196.20 g/mol

Open in Covalent MOL file
OOOHO
EtherKetonePhenol

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
logP
1.61Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
5396-18-9
SMILES
CC(=O)C1=C(C(=C(C=C1)OC)OC)O
InChIKey
BCEPNLMYVYJIHU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-6(11)7-4-5-8(13-2)10(14-3)9(7)12/h4-5,12H,1-3H3

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Names and synonyms

1 names
  • 2'-Hydroxy-3',4'-dimethoxyacetophenone

Work with 1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one

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

2,3-Dihydroxy-4-methoxyacetophenone708-53-276 % similar 2',3',4'-Trimethoxyacetophenone13909-73-471 % similar Acetosyringone2478-38-853 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-953 % similar Gallacetophenone528-21-251 % similar 2'-Methoxyacetophenone579-74-851 % similar 2',5'-Dimethoxyacetophenone1201-38-351 % similar 2,3,4-Trimethoxybenzoic acid573-11-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 Dihydroferulic acid1135-23-5 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-2 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0

Elsewhere

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