Chlorothymol

C10H13ClOCAS 89-68-9184.66 g/mol

Open in Covalent MOL file
OHCl
Aryl halidePhenol

Properties

Molecular formula
C10H13ClO
Molar mass
184.66 g/mol
Exact mass
184.0655 Da
Melting point
63 °C
Boiling point
258.5 °C
logP
3.48Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
89-68-9
SMILES
Cc1cc(O)c(C(C)C)cc1Cl
InChIKey
KFZXVMNBUMVKLN-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • Phenol, 4-chloro-5-methyl-2-(1-methylethyl)-
  • Thymol, 6-chloro-
  • 4-Chloro-5-methyl-2-(1-methylethyl)phenol
  • 6-Chlorothymol
  • Chlorthymol
  • 4-Chloro-6-isopropyl-3-methylphenol
  • 2-Isopropyl-4-chloro-5-methylphenol
  • 4-Chloro-2-isopropyl-5-methylphenol
  • NSC 406261
  • NSC 4964
  • 4-Chloro-5-methyl-2-(propan-2-yl)phenol

Work with Chlorothymol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Aminothymol hydrochloride6321-11-554 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-949 % similar 2,5-Dichloro-p-xylene1124-05-646 % similar 5'-Chloro-2'-hydroxy-4'-methylacetophenone28480-70-846 % similar Thymol89-83-846 % similar 2,4,5-Trichlorotoluene6639-30-143 % similar 4-Isopropylresorcinol23504-03-243 % similar 3-Methyl-4-isopropylphenol3228-02-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-tert-Butoxy-4-chlorobenzene18995-35-2 5-Chloro-2-adamantanone20098-17-3 Benzenemethanol, alpha-(2-chloroethyl)-4-methyl-22422-27-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook