2-(2,4-Dichlorophenoxy)ethanol

C₈H₈Cl₂O₂CAS 120-67-2207.05 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₈H₈Cl₂O₂
Molar mass: 207.05 g/mol
Exact mass: 205.9901 Da
Melting point: 57–58 °C
Boiling point: 121–128 °C (at 1 Torr)
logP: 2.36Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

120-67-2

SMILES

OCCOc1ccc(Cl)cc1Cl

InChIKey

PCCMNBRZMKANQD-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Ethanol, 2-(2,4-dichlorophenoxy)-
o,p-Dichlorophenoxyethanol
NSC 423
2-(2,4-Dichlorophenoxy)ethan-1-ol

Work with 2-(2,4-Dichlorophenoxy)ethanol

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-(2-Chlorophenoxy)ethanol15480-00-966 % similar 2,4-Db94-82-656 % similar 2-(4-Chlorophenoxy)ethanol1892-43-955 % similar 2,4-Dichlorophenoxyacetic acid94-75-754 % similar Ethyl 2,4-dichlorophenoxyacetate533-23-349 % similar Triclosan3380-34-549 % similar Butyl (2,4-dichlorophenoxy)acetate94-80-448 % similar 2,4-D Methyl ester1928-38-748 % similar

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

Same formula

1,4-Dichloro-2,5-dimethoxybenzene2675-77-6

Elsewhere

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