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2D Structure
Also known as: 4265-27-4, 2-butyl-1-benzofuran, Benzofuran, 2-butyl-, 2-n-butylbenzo[b]furan, 2-butyl-benzofuran, 2-n-butylbenzofuran
Molecular Formula
C12H14O
Molecular Weight
174.24  g/mol
InChI Key
OVJKFJDEVKABNF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-butyl-1-benzofuran
2.1.2 InChI
InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3
2.1.3 InChI Key
OVJKFJDEVKABNF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCC1=CC2=CC=CC=C2O1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4265-27-4

2. 2-butyl-1-benzofuran

3. Benzofuran, 2-butyl-

4. 2-n-butylbenzo[b]furan

5. 2-butyl-benzofuran

6. 2-n-butylbenzofuran

7. 2-butylbenzo[b]furan

8. Butylbenzofuran

9. 2-n-butylbezofuran

10. Butyl-2-benzofuran

11. Einecs 224-250-7

12. 2-n-butylbenzofurane

13. 2-n-butyl-benzofuran

14. 2-butyl Benzo[b]furan

15. 2-butyl-1-benzofuran #

16. Schembl1287509

17. Ovjkfjdevkabnf-uhfffaoysa-

18. Amy3319

19. Dtxsid90195378

20. Zinc2141025

21. Mfcd00005851

22. Akos009031452

23. Ac-18725

24. As-56882

25. Db-050954

26. Cs-0206015

27. Ft-0611635

28. D87773

29. A825975

30. W-106267

31. Z1250132589

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 174.24 g/mol
Molecular Formula C12H14O
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass174.104465066 g/mol
Monoisotopic Mass174.104465066 g/mol
Topological Polar Surface Area13.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1