chempirical

1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one

C22H19NO3CAS 47465-97-4345.40 g/mol

Open in Covalent MOL file
OHOHNHO
Phenol

Properties

Molecular formula
C22H19NO3
Molar mass
345.40 g/mol
Exact mass
345.1365 Da
logP
4.65Crippen estimate
Polar surface area
73.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
47465-97-4
SMILES
Cc1cc(C2(c3ccc(O)c(C)c3)C(O)=Nc3ccccc32)ccc1O
InChIKey
ZEKCYPANSOJWDH-UHFFFAOYSA-N
InChI
InChI=1S/C22H19NO3/c1-13-11-15(7-9-19(13)24)22(16-8-10-20(25)14(2)12-16)17-5-3-4-6-18(17)23-21(22)26/h3-12,24-25H,1-2H3,(H,23,26)

Weigh it out

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

Names and synonyms

4 names
  • 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
  • 3,3-Bis-(3-methyl-4-hydroxyphenyl)-2-oxo-2,3-dihydroindole
  • 3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on
  • 3,3-Bis-(4-hydroxy-3-methyl-phenyl)-1,3-dihydro-indol-2-one

Work with 1,3-Dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-2H-indol-2-one

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

O-Cresolphthalein596-27-046 % similar Bisphenol C79-97-045 % similar 4-tert-Butyl-2-methylphenol98-27-145 % similar Cresol red1733-12-644 % similar Cresol red sodium62625-29-037 % similar 3-Hydroxy-N-(2-methylphenyl)-2-naphthalenecarboxamide135-61-537 % similar 4-Hydroxy-3-methylbenzoic acid499-76-336 % similar 2,4-Dimethylphenol105-67-936 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook