CAS 125-13-3|Veripaque|Critex|Lavema|3,3-bis(4-hydroxyphenyl)-2,3-dihydro-1H-indol-2-one|3,3-Bis(p-hydroxyphenyl)-2-indolinone|Nourilax|3,3-Bis(p-hydroxyphenyl)oxindole|Isolax|Hoscolax|Propellax|Dih...

General Information

Structure

Molecular Formula

C₂₀H₁₅NO₃

Molecular Mass

317.338

Exact Mass

317.10519335

Charge

InChI

InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)

InChIKey

SJDACOMXKWHBOW-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2

Isomeric Smiles

O=C1Nc2c(C1(c1ccc(O)cc1)c1ccc(O)cc1)cccc2

Calculated Properties

JChem

Acid pKa

9.179456

H Acceptors

H Donor

LogD (pH = 5.5)

3.8314378

LogD (pH = 7.4)

3.8243835

Log P

3.8315282

Molar Refractivity

93.6903

Polarizability

34.861794

Polar Surface Area

69.56

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

3.78

LOG S

-4.4

Solubility (Water)

1.25e-02 g/l

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Brand Name

VeripaqueCritexLavemaNourilaxIsolaxHoscolaxPropellaxNeodrastRecolonNormalaxDiphenolisatinIsatinbisphenolPhenolisatin

IUPAC name

3,3-bis(4-hydroxyphenyl)-2,3-dihydro-1H-indol-2-one

Synonyms

3,3-Bis(p-hydroxyphenyl)-2-indolinone3,3-Bis(p-hydroxyphenyl)oxindoleDihydroxyphenoloxindolOxyphenisatinum [inn-latin]Oxyphenisatin3,3-Bis(4-hydroxyphenyl)-oxindole1,3-Dihydro-3,3-bis(4-hydroxyphenyl)-2H-indol-2-one4,4'-Dihydroxydiphenylisatin3,3-Bis(4-hydroxyphenyl)oxindoleOxyphenisatineOxifenisatina [inn-spanish]OxiphenisatinumACETPHENOLISATINOxyphenisatine

IUPAC Traditional name

oxyphenisatin 3,3-bis(4-hydroxyphenyl)-2,3-dihydro-1H-indol-2-one

Names and Identifiers

Registration numbers

PubChem CID

31315

CAS Number

125-13-3

PubChem SID

46508827160967799

Registration numbers

Properties