4-(p-Acetoxyphenyl)-2-butanone

C12H14O3CAS 3572-06-3206.24 g/mol

Open in Covalent MOL file
OOO
EsterKetone

Properties

Molecular formula
C12H14O3
Molar mass
206.24 g/mol
Exact mass
206.0943 Da
Density
1.096–1.1 g/mL
logP
2.13Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 238 ECHA notifiers. Aggregated from 238 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
3572-06-3
SMILES
CC(=O)CCc1ccc(OC(C)=O)cc1
InChIKey
UMIKWXDGXDJQJK-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Butanone, 4-[4-(acetyloxy)phenyl]-
  • 2-Butanone, 4-(p-hydroxyphenyl)-, acetate
  • 4-[4-(Acetyloxy)phenyl]-2-butanone
  • Cue-lure
  • 4-(p-Hydroxyphenyl)-2-butanone, acetate
  • Q-Lure
  • NSC 39438
  • Raspberry ketone acetate
  • [4-(3-Oxobutyl)phenyl] acetate

Work with 4-(p-Acetoxyphenyl)-2-butanone

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

4-(4-Methoxyphenyl)-2-butanone104-20-165 % similar Hydroquinone diacetate1205-91-062 % similar 4-Ethylphenyl acetate3245-23-662 % similar 4,4'-Diacetoxybiphenyl32604-29-856 % similar Benzyl acetone2550-26-755 % similar Raspberry ketone5471-51-254 % similar Nabumetone42924-53-854 % similar 4-Methylphenyl acetate140-39-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-2 Ethyl 4-(3-oxopropyl)benzoate151864-81-2 Ethyl methoxycinnamate24393-56-4 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-3 3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-9 5-Benzoylvaleric acid4144-62-1 Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-8 3-Benzyloxy-cyclobutanecarboxylic acid4958-02-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook