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Raspberry Ketone

PubChem CID: 21648

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Compound Synonyms 4-(4-Hydroxyphenyl)-2-butanone, 5471-51-2, Raspberry ketone, 4-(4-Hydroxyphenyl)butan-2-one, Frambinone, Oxyphenalon, Rheosmin, 4-(p-Hydroxyphenyl)-2-butanone, 4-Hydroxybenzylacetone, 2-Butanone, 4-(4-hydroxyphenyl)-, Rasketone, p-Hydroxybenzyl acetone, 4-(3-Oxobutyl)phenol, 1-(p-Hydroxyphenyl)-3-butanone, 1-(4-Hydroxyphenyl)-3-butanone, (p-Hydroxybenzyl)acetone, 2-BUTANONE, 4-(p-HYDROXYPHENYL)-, Oxyphenylon, rasberry ketone, FEMA No. 2588, Hydroxyphenylbutanone, p-, RASPBERRYKETONE, NSC 26515, p-hydroxyphenylbutan-2-one, EINECS 226-806-4, 7QY1MH15BG, BRN 0776080, DTXSID5044495, CHEBI:68656, 4-(p-Hydroxyphenyl)-2-butanone (natural), AI3-31812, HSDB 8163, 4-(4'-hydroxyphenyl)-2-butanone, MFCD00002394, NSC-26515, RASPBERRY KETONE [MI], P-HYDROXY-BENZYLACETONE, CHEMBL105912, DTXCID3024495, RASPBERRY KETONE [VANDF], EC 226-806-4, RASPBERRY KETONE [USP-RS], 4(P-HYDROXYPHENYL)-2-BUTANONE, RASPBERRY KETONE [USP IMPURITY], DOBUTAMINE IMPURITY B [EP IMPURITY], 4-(P-HYDROXYPHENYL)-2-BUTANONE [FCC], 4-(P-HYDROXYPHENYL)-2-BUTANONE [FHFI], 4-(4-HYDROXYPHENYL)BUTAN-2-ONE [WHO-DD], DOBUTAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY], 4-[4-hydroxyphenyl]butan-2-one, RASPBERRY KETONE (USP-RS), RASPBERRY KETONE (USP IMPURITY), DOBUTAMINE IMPURITY B (EP IMPURITY), UNII-7QY1MH15BG, DOBUTAMINE HYDROCHLORIDE IMPURITY B (EP IMPURITY), Himbeerketon, Frambione, Rastone, Rheosmine, Dobutamine Hydrochloride Imp. B (EP), Dobutamine Imp. B (EP), 4-(4-Hydroxyphenyl)butan-2-one, Dobutamine Hydrochloride Impurity B, Dobutamine Impurity B, p-Hydroxy benzylacetone, DOBUTAMINE_met018, (4-Hydroxybenzyl)acetone, Raspberry ketone synthetic, 4-hydroxyphenylbutan-2-one, Raspberry ketone (Standard), SCHEMBL43308, WLN: QR D2V1, RASPBERRY KETONE [INCI], FEMA 2588, HY-N1426R, 4-(4-hydroxyphenyl) butan-2-one, 4-(4-hydroxyphenyl)-butan-2-one, HY-N1426, NSC26515, 1-(4-hydroxy-phenyl)-butan-3-one, Tox21_301459, 4-(4-Hydroxy-phenyl)-butan-2-one, BBL009822, BDBM50315100, s9480, STK801275, AKOS000120840, FR11967, PS-4612, 4-(4-Hydroxyphenyl)-2-butanone, 99%, NCGC00255780-01, AC-24193, SY004032, CAS-5471-51-2, DB-003440, CS-0016855, H0604, NS00001157, EN300-18634, D70581, AE-473/30684056, Q414484, 4-(4-Hydroxyphenyl)-2-butanone, >=98%, FCC, FG, 4-(4-Hydroxyphenyl)-2-butanone, analytical standard, Z87001611, 4-(4-Hydroxyphenyl)-2-butanone, natural, >=98%, FCC, FG, 4-(4-Hydroxyphenyl)-2-butanone, certified reference material, TraceCERT(R), Raspberry ketone, United States Pharmacopeia (USP) Reference Standard, RACTOPAMINE HYDROCHLORIDE SUSPENSION IMPURITY, RASPBERRY KETONE- [USP IMPURITY], 226-806-4, BKZ
Topological Polar Surface Area 37.3
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 12.0
Description Isolated from raspberries (Rubus idaeus), rhubarb (Rheum subspecies), European cranberry (Vaccinium oxycoccus), blackberry, loganberry and redcurrants. Important flavour ingredient. 4-(4-Hydroxyphenyl)-2-butanone is found in fruits and red raspberry.
Isotope Atom Count 0.0
Molecular Complexity 146.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, P0DMM9, P10275
Iupac Name 4-(4-hydroxyphenyl)butan-2-one
Prediction Hob 1.0
Class Benzene and substituted derivatives
Target Id NPT153
Xlogp 1.5
Superclass Benzenoids
Subclass Phenols and derivatives
Molecular Formula C10H12O2
Prediction Swissadme 1.0
Inchi Key NJGBTKGETPDVIK-UHFFFAOYSA-N
Fcsp3 0.3
Logs -1.176
Rotatable Bond Count 3.0
State Solid
Logd 1.197
Synonyms (p-hydroxybenzyl)acetone, 1-(4-Hydroxyphenyl)-3-butanone, 1-(p-Hydroxyphenyl)-3-butanone, 2-Butanone, 4-(4-hydroxyphenyl)-, 2-Butanone, 4-(p-hydroxyphenyl)-, 4-(3-Oxobutyl)phenol, 4-(4-Hydroxyphenyl)butan-2-one, 4-(p-Hydroxyphenyl)-2-butanone, 4-Hydroxybenzylacetone, Betuligenol, FEMA 2588, Frambinone, Hydroxyphenylbutanone, p-, Oxyphenalon, P-hydroxybenzyl acetone, p-hydroxyphenylbutan-2-one, P-Hydroxyphenylbutanone, Rasberry ketone, Rasketone, Raspberry ketone, Rheosmin, Rheosmine, (p-Hydroxybenzyl)acetone, p-Hydroxybenzyl acetone, p-Hydroxyphenylbutan-2-one, p-Hydroxybenzylacetone, 4-(4-Hydroxyphenyl)-2-butanone
Substituent Name Phenol, Ketone, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound
Compound Name Raspberry Ketone
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 164.084
Formal Charge 0.0
Monoisotopic Mass 164.084
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 164.2
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Esol -1.9624648000000002
Inchi InChI=1S/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3
Smiles CC(=O)CCC1=CC=C(C=C1)O
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent 1-hydroxy-2-unsubstituted benzenoids