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2-[2-(2-Methoxyphenoxy)Ethyl]Isoindole-1,3-Dione
PharmaCompass
2-[2-(2-Methoxyphenoxy)Ethyl]Isoindole-1,3-Dione
Also known as: 26646-63-9, 2-[2-(2-methoxyphenoxy)ethyl]benzo[c]azolidine-1,3-dione, 2-[2-(2-methoxyphenoxy)ethyl]-1h-isoindole-1,3(2h)-dione, 2-(2-(2-methoxyphenoxy)ethyl)-1h-isoindole-1,3(2h)-dione, Ac1nn7cf, Molport-003-900-521
Molecular Formula
C17H15NO4
Molecular Weight
297.31  g/mol
InChI Key
WRBSZMMWHCAUKD-UHFFFAOYSA-N

1 2D Structure

2-[2-(2-Methoxyphenoxy)Ethyl]Isoindole-1,3-Dione

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(2-methoxyphenoxy)ethyl]isoindole-1,3-dione
2.1.2 InChI
InChI=1S/C17H15NO4/c1-21-14-8-4-5-9-15(14)22-11-10-18-16(19)12-6-2-3-7-13(12)17(18)20/h2-9H,10-11H2,1H3
2.1.3 InChI Key
WRBSZMMWHCAUKD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=CC=C1OCCN2C(=O)C3=CC=CC=C3C2=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 26646-63-9

2. 2-[2-(2-methoxyphenoxy)ethyl]benzo[c]azolidine-1,3-dione

3. 2-[2-(2-methoxyphenoxy)ethyl]-1h-isoindole-1,3(2h)-dione

4. 2-(2-(2-methoxyphenoxy)ethyl)-1h-isoindole-1,3(2h)-dione

5. Ac1nn7cf

6. Molport-003-900-521

7. Zinc389148

8. Sbb079462

9. Stk692357

10. Akos002288822

11. Mcule-7106249074

12. Ak317435

13. Kb-84344

14. St093465

15. 63388p

16. En300-111014

17. 2-(2-(2-methoxyphenoxy)ethyl)isoindoline-1,3-dione

18. 2-[2-(2-methoxy-phenoxy)-ethyl]-isoindole-1,3-dione

19. 1h-isoindole-1,3(2h)-dione, 2-[2-(2-methoxyphenoxy)ethyl]-

20. 2-[2-(2-methoxyphenoxy)ethyl]-2,3-dihydro-1h-isoindole-1,3-dione

2.3 Create Date
2005-09-18
3 Chemical and Physical Properties
Molecular Weight 297.31 g/mol
Molecular Formula C17H15NO4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass297.1 g/mol
Monoisotopic Mass297.1 g/mol
Topological Polar Surface Area55.8 A^2
Heavy Atom Count22
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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