3-Methoxyacetophenone

C9H10O2CAS 586-37-8150.18 g/mol

Open in Covalent MOL file
OO
EtherKetone

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
Density
1.0993 g/mL (at 15 °C)
Melting point
95.5 °C
Boiling point
240 °C
logP
1.90Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 20 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
586-37-8
SMILES
COc1cccc(C(C)=O)c1
InChIKey
BAYUSCHCCGXLAY-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Ethanone, 1-(3-methoxyphenyl)-
  • Acetophenone, 3′-methoxy-
  • 1-(3-Methoxyphenyl)ethanone
  • 3′-Methoxyacetophenon
  • 3′-Methoxyacetophenone
  • 3-Acetylanisole
  • Methyl 3-methoxyphenyl ketone
  • m-Methoxyacetophenone
  • 1-Acetyl-3-methoxybenzene
  • 3-Methoxyphenyl methyl ketone
  • m-Acetylanisole
  • NSC 65593
  • 3-Methoxy-1-acetylbenzene
  • m-Acetanisole
  • 1-(3-Methoxyphenyl)ethan-1-one

Work with 3-Methoxyacetophenone

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-(3,5-Dimethoxyphenyl)ethan-1-one39151-19-467 % similar 1-[3-(Acetyloxy)phenyl]ethanone2454-35-565 % similar 2-Acetyl-6-methoxynaphthalene3900-45-665 % similar 1,3-Diacetylbenzene6781-42-664 % similar 3-Methoxybenzoyl chloride1711-05-362 % similar Methyl m-methoxybenzoate5368-81-062 % similar 3-Methoxybenzoic acid586-38-962 % similar 3'-(Trifluoromethoxy)acetophenone170141-63-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

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