3,4-Dimethoxyacetophenone

C10H12O3CAS 1131-62-0180.20 g/mol

Open in Covalent MOL file
OOO
EtherKetone

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Melting point
51 °C
Boiling point
287 °C
logP
1.91Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
1131-62-0
SMILES
COc1ccc(C(C)=O)cc1OC
InChIKey
IQZLUWLMQNGTIW-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3

Weigh it out

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Names and synonyms

13 names · show all
  • Ethanone, 1-(3,4-dimethoxyphenyl)-
  • Acetophenone, 3′,4′-dimethoxy-
  • 1-(3,4-Dimethoxyphenyl)ethanone
  • Acetoveratrone
  • 3′,4′-Dimethoxyacetophenone
  • 3,4-Dimethoxyphenyl methyl ketone
  • Methyl 3,4-dimethoxyphenyl ketone
  • 4-Acetylveratrole
  • NSC 16944
  • NSC 18708
  • 1-(4,5-Dimethoxyphenyl)ethanone
  • 4-Acetyl-1,2-dimethoxybenzene
  • 1-(3,4-Dimethoxyphenyl)ethan-1-one

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

Similar compounds

1-(3-Bromo-4-methoxyphenyl)ethanone35310-75-970 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-470 % similar Apocynin498-02-270 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-970 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-070 % similar 3'-Iodo-4'-methoxyacetophenone79324-77-970 % similar 1-(4-Benzyloxy-3-methoxyphenyl)ethanone1835-11-666 % similar 3',4',5'-Trimethoxyacetophenone1136-86-365 % 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 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2 4-(1-Methylethoxy)benzoic acid13205-46-4

Elsewhere

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