chempirical

2,4-Dichlorophenethyl alcohol

C8H8Cl2OCAS 81156-68-5191.05 g/mol

Open in Covalent MOL file
ClClOH
AlcoholAryl halide

Properties

Molecular formula
C8H8Cl2O
Molar mass
191.05 g/mol
Exact mass
189.9952 Da
logP
2.53Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
81156-68-5
SMILES
C1=CC(=C(C=C1Cl)Cl)CCO
InChIKey
JIJGKPVJAALUQQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2O/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2

Weigh it out

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Work with 2,4-Dichlorophenethyl alcohol

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

2,4-Dichlorobenzyl alcohol1777-82-866 % similar 2-Chlorobenzeneethanol19819-95-562 % similar 2,4-Dichlorobenzyl chloride94-99-557 % similar 3-(2,4-Dichlorophenyl)propionic acid55144-92-856 % similar 2,4-Dichlorobenzyl bromide20443-99-655 % similar 2,4-Dichlorobenzenemethanethiol59293-67-355 % similar 2,4-Dichlorobenzenemethanamine95-00-155 % similar 4-Chlorobenzeneethanol1875-88-352 % similar

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

Same formula

1-Chloro-4-(2-chloroethoxy)benzene13001-28-0 2,4-Dichloro-3,5-dimethylphenol133-53-9 2,6-Dichlorobenzeneethanol30595-79-0 1,3-Dichloro-2-(methoxymethyl)benzene33486-90-7 2-(3,4-Dichlorophenyl)ethanol35364-79-5 2,6-Dichloro-α-methylbenzenemethanol53066-19-6

Elsewhere

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