2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

• ChemBase ID: 108153
• Molecular Formular: C18H12N2O4
• Molecular Mass: 320.29888
• Monoisotopic Mass: 320.07970687
• SMILES: O=C1N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc12
• Canonical SMILES: O=C1N(CCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
• InChI: InChI=1S/C18H12N2O4/c21-15-11-5-1-2-6-12(11)16(22)19(15)9-10-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2
• InChIKey: MSNBDDJGCNYFNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione
• Synonyms: α,β-DIPHTHALIMIDOETHANE

Database IDs

• CAS Number: 607-26-1
• PubChem SID: 162094051
• PubChem CID: 220265

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6626732
• LogD (pH = 7.4): 1.6626732
• Log P: 1.6626732
• Molar Refractivity: 86.454 cm^3
• Polarizability: 31.269753 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206258

MP Biomedicals Rare Chemical collection