1 2D Structure

2D Structure

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]isoindole-1,3-dione

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

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

5. 2-(2-(2-methoxyphenoxy)ethyl)-1h-isoindole-1,3(2h)-dione

6. 2-[2-(2-methoxy-phenoxy)-ethyl]-isoindole-1,3-dione

7. Dtxsid601200534

8. Zinc389148

9. 1h-isoindole-1,3(2h)-dione, 2-[2-(2-methoxyphenoxy)ethyl]-

10. Bba64663

11. Stk692357

12. Akos002288822

13. Bs-50289

14. Cs-0349215

15. F77097

2.3 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₅NO₄
Molecular Weight	297.30 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	297.10010796 g/mol
Monoisotopic Mass	297.10010796 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	401
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 26646-63-9