CAS 4265-27-4

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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

CAS 4265-27-4

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 Formula	C₁₂H₁₄O
Molecular Weight	174.24 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	174.104465066 g/mol
Monoisotopic Mass	174.104465066 g/mol
Topological Polar Surface Area	13.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	155
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