WHC is still in active development. Read this to understand our approach.
depiction of KRIOVPPHQSLHCZ-UHFFFAOYSA-N.svg
isomerdesign

Propiophenone

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pubchem

Propiophenone

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Data

InChI: InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

Synonyms: Ketone, ethyl phenyl,CHEBI:425902,93-55-0,NSC 16937,CHEMBL193446,PROPIOPHENONE [MI],Propionylbenzene,Propiophenone, analytical standard,Propiophenone, >=99%,ZINC1747833,USAF EK-1235,1-Propanone, 1-phenyl-,DSSTox_CID_24470,EN300-19183,2-methyl-acetophenone,NSC-16937,Q415446,FEMA No. 3469,W-100239,Tox21_302025,1-phenylpropanone,Ethyl phenyl ketone,1-phenylpropan-1-one,Propiophenone, Vetec(TM) reagent grade, 99%,P1P,1-Phenyl-1-propanone,VS-08588,DSSTox_GSID_44470,AKOS000119030,propiophenon,F0001-2238,WLN: 2VR,PHENYL ETHYL KETONE [HSDB],E599A8OKQH,3szb,PROPIOPHENONE [WHO-DD],phenylethylketone,DTXSID2044470,1-PROPANONE,1-PHENYL PROPIOPHENONE,4-07-00-00680 (Beilstein Handbook Reference),FEMA 3469,MFCD00009309,Propiophenone, purum, >=99.0% (GC),P0519,Z104473068,UNII-E599A8OKQH,CAS-93-55-0,Propiophenone, 99%,NCGC00255954-01,BBL027754,Benzoylethane,Propionphenone,Propiophenone,PHENYL ETHYL KETONE,2-Methyl acetophenone,PROPIOPHENONE [FHFI],SCHEMBL76464,NSC16937,methyl-acetophenone,EINECS 202-257-6,STL282500,BRN 0606215,AI3-00951,1-Phenylpropan-1-one,EC 202-257-6,1-Phenyl-propan-1-one,1-PROPANONE,1-PHENYL PROPIOPHENONE,DSSTox_RID_80252,HSDB 1177

Estimated data

Solubility: -1.533 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 65.1% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.