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Isatin bis-cresol

CAT: 0926-FI24652-01Size: 50 mgDry Ice: NoHazardous: No
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CAS Number
47465-97-4
Synonyms
1,3-Dihydro-3,3-bis (4-hydroxy-3-methylphenyl) -2H-indol-2-one
MDL Number
MFCD00484556
Smiles
CC1=C (C=CC (=C1) C2 (C3=CC=CC=C3NC2=O) C4=CC (=C (C=C4) O) C) O
Molecular Formula
C22H19NO3
Molecular Weight
345.39 g/mol
Controlled
No

Chemical Information

2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-

3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one is a member of indoles.

CAS Number47465-97-4
PubChem CID162076
IUPAC Name3,3-bis(4-hydroxy-3-methylphenyl)-1H-indol-2-one
Molecular FormulaC22H19NO3
Molecular Weight345.4
XLogP4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity509
SMILES
CC1=C(C=CC(=C1)C2(C3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)O)C)O
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)
InChIKey
ZEKCYPANSOJWDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-Indol-2-one, 1,3-dihydro-3,3-bis(4-hydroxy-3-methylphenyl)-
CAS: 47465-97-4
CID: 162076
Formula: C22H19NO3
MW: 345.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass345.13649347
Monoisotopic Mass345.13649347
Topological Polar Surface Area69.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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