1H-Isoindole-1,3(2H)-dione, 4-[4-[1-[4-[(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl-
Basic information
- CAS
63227-27-0- Standard SMILES
CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5cccc6c5C(=O)N(C)C6=O)cc4)cc3)cc2C1=O- InChIKey
UHDHUJWBXOCCPT-UHFFFAOYSA-N- Molecular formula
- C33H26N2O6
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.17908655
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 4-[4-[1-[4-[(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl-
- IUPAC
- 2-methyl-4-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
- English name
- 4-[4-[1-[4-[[(2,3-Dihydro-2-methyl-1,3-dioxo-1H-isoindol)-5-yl]oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C33H26N2O6
- Molecular weight
- 546.57
Names & synonyms
1H-Isoindole-1,3(2H)-dione, 4-[4-[1-[4-[(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl-DTXSID8069800N,N'-Dimethyl-2-(4-(2,3-dicarboxyphenoxy)phenyl)-2-(4-(3,4-dicarboxyphenoxy)phenyl)propane diimide1H-Isoindole-1,3(2H)-dione, 4-(4-(1-(4-((2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)oxy)phenyl)-1-methylethyl)phenoxy)-2-methyl-RefChem:438832DTXCID204379763227-27-02-Methyl-4-(4-(2-(4-((2-methyl-1,3-dioxoisoindolin-5-yl)oxy)phenyl)propan-2-yl)phenoxy)isoindoline-1,3-dione2-methyl-4-[4-(2-{4-[(2-methyl-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl)oxy]phenyl}propan-2-yl)phenoxy]-1h-isoindole-1,3(2h)-dioneSCHEMBL11077941UHDHUJWBXOCCPT-UHFFFAOYSA-N4-[4-[1-[4-[[(2,3-Dihydro-2-methyl-1,3-dioxo-1H-isoindol)-5-yl]oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
63227-27-0
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 93.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- EPA Substance Registry System
- 1 H-Isoindole-1,3 · 1H-Isoindole-1,3(2H)-dione, 4-[4-[1-[4-[(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl- (63227-27-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Isoindole-1,3(2H)-dione, 4-[4-[1-[4-[(2,3-dihydro-2-methyl-1,3-dioxo-1H-isoindol-5-yl)oxy]phenyl]-1-methylethyl]phenoxy]-2-methyl-: ACTIVE
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Compound notes
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