chempirical

3-(P-Chlorobenzylidene)phthalide

C15H9ClO2CAS 20526-97-0256.69 g/mol

Open in Covalent MOL file
OOCl
AlkeneAryl halideEsterLactone

Properties

Molecular formula
C15H9ClO2
Molar mass
256.69 g/mol
Exact mass
256.0291 Da
Melting point
152–153 °C
logP
4.01Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
20526-97-0
SMILES
O=C1OC(=Cc2ccc(Cl)cc2)c2ccccc21
InChIKey
OHRFHJYUEWVXBD-UHFFFAOYSA-N
InChI
InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H

Weigh it out

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

Names and synonyms

6 names
  • 1(3H)-Isobenzofuranone, 3-[(4-chlorophenyl)methylene]-
  • Phthalide, 3-(p-chlorobenzylidene)-
  • 3-[(4-Chlorophenyl)methylene]-1(3H)-isobenzofuranone
  • 3-(4-Chlorobenzal)phthalide
  • 3-(4-Chlorobenzylidene)-2-benzofuran-1(3H)-one
  • 3-[(4-Chlorophenyl)methylidene]-2-benzofuran-1-one

Work with 3-(P-Chlorobenzylidene)phthalide

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

Benzylidenephthalide575-61-174 % similar Propylidenephthalide17369-59-449 % similar Phthalic anhydride85-44-948 % similar 4-Chlorophthalic anhydride118-45-647 % similar Butylidenephthalide551-08-647 % similar p-Chlorophenyl benzoate2005-08-540 % similar 4-Chlorochalcone956-04-740 % similar P-Chlorobenzoyl peroxide94-17-739 % similar

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

Elsewhere

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