O-Cresolphthalein

Molecule SVG Image

Properties Simple | Detailed

Formula C22H18O4
IUPAC Name 3,3-bis(4-hydroxy-3-methyl-phenyl)isobenzofuran-1-one
Molecular Mass 346.376 g·mol−1
Heat of Formation -441.4 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 404.74 Å 3
Surface Area 349.77 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-
  • 3',3''-dimethylphenolphthalein
  • 3,3-bis(4-hydroxy-3-methyl-phenyl)-2-benzofuran-1-one
  • 3,3-bis(4-hydroxy-3-methylphenyl)-1-isobenzofuranone
  • 3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one
  • 3,3-bis(4-hydroxy-m-tolyl)phthalide
  • cresolphthalein
CAS Number(s)
  • 596-27-0
  • 80045-63-2
InChIKey CPBJMKMKNCRKQB-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O