4-Chloro-2,6-dimethylphenol

C₈H₉ClOCAS 1123-63-3156.61 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₈H₉ClO
Molar mass: 156.61 g/mol
Exact mass: 156.0342 Da
Melting point: 83 °C
Boiling point: 100–103 °C (at 3 Torr)
logP: 2.66Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1123-63-3

SMILES

Cc1cc(Cl)cc(C)c1O

InChIKey

VWYKSJIPZHRLNO-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3

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Names and synonyms

5 names

Phenol, 4-chloro-2,6-dimethyl-
2,6-Xylenol, 4-chloro-
4-Chloro-2,6-xylenol
2,6-Dimethyl-4-chlorophenol
NSC 5785

Work with 4-Chloro-2,6-dimethylphenol

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-Dichloro-6-methylphenol1570-65-675 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-362 % similar 3,3′,5,5′-Tetramethyl[1,1′-biphenyl]-4,4′-diol2417-04-159 % similar Mesitol527-60-657 % similar 2,6-Dimethylhydroquinone654-42-257 % similar 4-Iodo-2,6-dimethylphenol10570-67-954 % similar Poly(P-phenylene oxide)25134-01-452 % similar 2,6-Xylenol576-26-152 % similar

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

Same formula

(1R)-1-(3-Chlorophenyl)ethanol120121-01-9 (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-2 (S)-1-(2-Chlorophenyl)ethanol131864-71-6 1-Chloro-4-methoxy-2-methylbenzene13334-71-9 (1S)-1-(3-Chlorophenyl)ethan-1-ol135145-34-5 1-(2-Chlorophenyl)ethanol13524-04-4 4-Chloro-3-ethylphenol14143-32-9 4-Chlorobenzeneethanol1875-88-3

Elsewhere

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