chempirical

2',3',4'-Trimethoxyacetophenone

C11H14O4CAS 13909-73-4210.23 g/mol

Open in Covalent MOL file
OOOO
EtherKetone

Properties

Molecular formula
C11H14O4
Molar mass
210.23 g/mol
Exact mass
210.0892 Da
Melting point
15.8 °C
Boiling point
296 °C
logP
1.92Crippen estimate
Polar surface area
44.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
13909-73-4
SMILES
COc1ccc(C(C)=O)c(OC)c1OC
InChIKey
PKNAATJMQOUREZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O4/c1-7(12)8-5-6-9(13-2)11(15-4)10(8)14-3/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

8 names
  • 2′,3′,4′-Trimethoxyacetophenone
  • Ethanone, 1-(2,3,4-trimethoxyphenyl)-
  • Acetophenone, 2′,3′,4′-trimethoxy-
  • 1-(2,3,4-Trimethoxyphenyl)ethanone
  • Tri-O-methylgallacetophenone
  • Methyl 2,3,4-trimethoxyphenyl ketone
  • NSC 68811
  • 1-(2,3,4-Trimethoxyphenyl)ethan-1-one

Work with 2',3',4'-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one5396-18-971 % similar 2,3,4-Trimethoxybenzoic acid573-11-562 % similar 2,3-Dihydroxy-4-methoxyacetophenone708-53-260 % similar 2'-Methoxyacetophenone579-74-858 % similar 2',5'-Dimethoxyacetophenone1201-38-357 % similar 2′,4′-Dimethoxyacetophenone829-20-957 % similar 2'-Amino-3'-methyl-4'-methoxyacetophenone912347-94-557 % similar 3,4-Dimethoxyacetophenone1131-62-056 % 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 3-(3,4-Dimethoxyphenyl)propionic acid2107-70-2 2,3,4-Trimethoxy-6-methylbenzaldehyde22383-85-3 3,4-Diethoxybenzoic acid5409-31-4 2,4-Dihydroxy-6-propyl-benzoic acid methyl ester55382-52-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook