chempirical

Chlorotrianisene

C23H21ClO3CAS 569-57-3380.87 g/mol

Open in Covalent MOL file
OClOO
AlkeneEtherVinyl halide

Properties

Molecular formula
C23H21ClO3
Molar mass
380.87 g/mol
Exact mass
380.1179 Da
Melting point
114–116 °C
logP
5.87Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
569-57-3
SMILES
COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIKey
BFPSDSIWYFKGBC-UHFFFAOYSA-N
InChI
InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3

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Names and synonyms

19 names · show all
  • Benzene, 1,1′,1′′-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-
  • Ethylene, chlorotris(p-methoxyphenyl)-
  • 1,1′,1′′-(1-Chloro-1-ethenyl-2-ylidene)tris[4-methoxybenzene]
  • Chlorotris(p-methoxyphenyl)ethylene
  • Tri-p-anisylchloroethylene
  • Tris(p-methoxyphenyl)chloroethylene
  • Merbentul
  • Tace
  • Hormonisene
  • Chlortrianizen
  • Khlortrianizen
  • Anisene
  • Clorestrolo
  • Clorotrisin
  • Metace
  • NSC 10108
  • Rianil
  • Trianisylchloroethylene
  • Tace (pharmaceutical)

Work with Chlorotrianisene

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

4-Methoxybenzoyl chloride100-07-257 % similar 1,4-Dimethoxybenzene150-78-752 % similar 4,4′-Dimethoxybenzil1226-42-252 % similar 4,4′-Dimethoxybenzophenone90-96-052 % similar Acetanisole100-06-148 % similar 4-Methoxybenzamide3424-93-948 % similar p-Anisic anhydride794-94-548 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-847 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook