Raspberry ketone

C₁₀H₁₂O₂CAS 5471-51-2164.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Melting point: 83.5–84.5 °C
Boiling point: 190–210 °C (at 18 Torr)
logP: 1.91Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

5471-51-2

SMILES

CC(=O)CCc1ccc(O)cc1

InChIKey

NJGBTKGETPDVIK-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3

Weigh it out

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Names and synonyms

15 names · show all

2-Butanone, 4-(4-hydroxyphenyl)-
2-Butanone, 4-(p-hydroxyphenyl)-
4-(4-Hydroxyphenyl)-2-butanone
(p-Hydroxybenzyl)acetone
4-(p-Hydroxyphenyl)-2-butanone
1-(p-Hydroxyphenyl)-3-butanone
Rheosmin
Frambinone
1-(4-Hydroxyphenyl)-3-butanone
4-(4′-Hydroxyphenyl)-2-butanone
4-(3-Oxobutyl)phenol
Oxyphenylon
(4-Hydroxybenzyl)acetone
NSC 26515
4-(4-Hydroxy-1-phenyl)-2-butanone

Work with Raspberry ketone

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-Hydroxyphenylacetone770-39-871 % similar Benzylacetone2550-26-762 % similar Phloretic acid501-97-358 % similar 4-(4-Methoxyphenyl)-2-butanone104-20-158 % similar 4-(P-Acetoxyphenyl)-2-butanone3572-06-354 % similar Zingerone122-48-554 % similar Dulcinyl55418-52-551 % similar 4-Hydroxybenzenebutanoic acid7021-11-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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