Home > Compound List > Compound details
6437-67-8 molecular structure
click picture or here to close

2-{2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]ethoxy}-2,3-dihydro-1H-isoindole-1,3-dione

ChemBase ID: 168550
Molecular Formular: C18H12N2O6
Molecular Mass: 352.29768
Monoisotopic Mass: 352.06953611
SMILES and InChIs

SMILES:
c1cccc2c1C(=O)N(C2=O)OCCON1C(=O)c2c(C1=O)cccc2
Canonical SMILES:
O=C1N(OCCON2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
InChI:
InChI=1S/C18H12N2O6/c21-15-11-5-1-2-6-12(11)16(22)19(15)25-9-10-26-20-17(23)13-7-3-4-8-14(13)18(20)24/h1-8H,9-10H2
InChIKey:
CDKMESCTNMNHID-UHFFFAOYSA-N

Cite this record

CBID:168550 http://www.chembase.cn/molecule-168550.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]ethoxy}-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC Traditional name
2-{2-[(1,3-dioxoisoindol-2-yl)oxy]ethoxy}isoindole-1,3-dione
Synonyms
2,2'-[1,2-Ethanediylbis(oxy)]bis-1H-isoindole-1,3(2H)-dione
N,N'-(Ethylenedioxy)di-phthalimide
CAS Number
6437-67-8
PubChem SID
162262682
PubChem CID
2249224

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E917765 external link Add to cart
PubChem 2249224 external link
Data Source Data ID Price
TRC
E917765 external link Add to cart Please log in.
Data Source Data ID
PubChem 2249224 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9648792  LogD (pH = 7.4) 1.9648792 
Log P 1.9648792  Molar Refractivity 89.1544 cm3
Polarizability 32.744144 Å3 Polar Surface Area 93.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E917765 external link
Byproduct of Phthalimide alkylation.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Schumann, E., et al.: J. Med. Chem., 7, 329 (1964)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle