2',4',6'-Trimethoxyacetophenone

C11H14O4CAS 832-58-6210.23 g/mol

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EtherKetone

Properties

Molecular formula
C11H14O4
Molar mass
210.23 g/mol
Exact mass
210.0892 Da
logP
1.91Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
832-58-6
SMILES
CC(=O)C1=C(C=C(C=C1OC)OC)OC
InChIKey
KPZWHZSIXZXDMW-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O4/c1-7(12)11-9(14-3)5-8(13-2)6-10(11)15-4/h5-6H,1-4H3

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Names and synonyms

1 names
  • Ethanone, 1-(2,4,6-trimethoxyphenyl)-

Work with 2',4',6'-Trimethoxyacetophenone

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

Brevifolin90-24-475 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-263 % similar 2′,4′-Dimethoxyacetophenone829-20-961 % similar 1-(3,5-Dimethoxyphenyl)ethan-1-one39151-19-460 % similar 2,4,6-Trimethoxybenzoic acid570-02-559 % similar 2',5'-Dimethoxyacetophenone1201-38-356 % similar Acetanisole100-06-150 % similar 3,4-Dimethoxyacetophenone1131-62-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-4 3-(2,5-Dimethoxyphenyl)propionic acid10538-49-5 3',4',5'-Trimethoxyacetophenone1136-86-3 4-Ethoxy-3-methoxybenzeneacetic acid120-13-8 2',3',4'-Trimethoxyacetophenone13909-73-4 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-2 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3 3,4-Diethoxybenzoic acid5409-31-4

Elsewhere

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