chempirical

1-Chloro-4-(2-chloroethoxy)benzene

C8H8Cl2OCAS 13001-28-0191.05 g/mol

Open in Covalent MOL file
ClOCl
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H8Cl2O
Molar mass
191.05 g/mol
Exact mass
189.9952 Da
Melting point
39 °C
Boiling point
184–186 °C (at 92 Torr)
logP
2.96Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
13001-28-0
SMILES
ClCCOc1ccc(Cl)cc1
InChIKey
DFJCCNZMGVNBKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2

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Names and synonyms

5 names
  • Benzene, 1-chloro-4-(2-chloroethoxy)-
  • Phenetole, p,β-dichloro-
  • 2-Chloroethyl 4-chlorophenyl ether
  • 4-(2-Chloroethoxy)chlorobenzene
  • 2-(4-Chlorophenoxy)ethyl chloride

Work with 1-Chloro-4-(2-chloroethoxy)benzene

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

(2-Chloroethoxy)benzene622-86-662 % similar 2-(4-Chlorophenoxy)ethanol1892-43-961 % similar 1-(2-Bromoethoxy)-4-chlorobenzene2033-76-361 % similar Bis(P-chlorophenoxy)methane555-89-560 % similar 1-Chloro-4-ethoxybenzene622-61-759 % similar 3-(4-Chlorophenoxy)propanoic acid3284-79-550 % similar 1-(2-Chloroethoxy)-4-nitrobenzene3383-72-050 % similar 1-(3-Chloropropoxy)-4-fluorobenzene1716-42-347 % similar

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

Same formula

2,4-Dichloro-3,5-dimethylphenol133-53-9 2,6-Dichlorobenzeneethanol30595-79-0 1,3-Dichloro-2-(methoxymethyl)benzene33486-90-7 2,6-Dichloro-α-methylbenzenemethanol53066-19-6

Elsewhere

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