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

Phenethyl chloride

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pubchem

(2-Chloroethyl)benze...

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Data

InChI: InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Synonyms: Ethylchlorobenzene,ZINC1641679,chloroethylbenzene,DTXSID3060748,alpha-Chloroethylbenzene,NSC 27886,(2-Chloroethyl)benzene, 99%,CHLOROETHYL)BENZENE, (2-,Phenethylchloride,beta-Phenethyl chloride,(2-chloroethyl) benzene,(2-chloroethyl)benzene,Phenethyl chloride,2-chloroethyl-benzene,(2-chloro-ethyl)-benzene,(beta-Chloroethyl)benzene,UNII-C7T86VN1QZ,D70839,CS-W016446,STK802209,.beta.-Phenethyl chloride,AKOS000120652,(.beta.-Chloroethyl)benzene,622-24-2,2-chloroethylbenzene,A833653,Q27275303,2-Phenyl-1-chloroethane,1331-31-3,Benzene, (2-chloroethyl)-,phenyl ethyl chloride,2-chloro ethylbenzene,BENZENE, (.BETA.-CHLOROETHYL)-,phenylethyl chloride,BBL027318,2-(Chloroethyl)benzene,C7T86VN1QZ,NSC27886,(2-chloroethyl)-benzene,2-Phenylethyl chloride,DB-054098,HSDB 8375,1-Chloro-2-phenylethane,MFCD00000977,FT-0632610,2-Chloroethylbenzene,EINECS 210-725-6,beta-Phenylethyl chloride,.beta.-Phenylethyl chloride,NSC-27886,SCHEMBL5705619,SCHEMBL124719,F0001-1658,2-chloro ethyl benzene,W-105031

Estimated data

Solubility: -2.817 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 61.9% (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.