CAS 32940-15-1

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Also known as: 32940-15-1, 5-methoxy-3,4-dihydronaphthalen-2(1h)-one, 5-methoxy-3,4-dihydro-1h-naphthalen-2-one, 2(1h)-naphthalenone, 3,4-dihydro-5-methoxy-, 5-methoxytetralin-2-one, 5-methoxyl-2-tetralone

Molecular Formula

C₁₁H₁₂O₂

Molecular Weight

176.21 g/mol

InChI Key

MDAIAXRTLTVEOU-UHFFFAOYSA-N

FDA UNII

V6V2G5MZ9D

1 2D Structure

CAS 32940-15-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methoxy-3,4-dihydro-1H-naphthalen-2-one

2.1.2 InChI

InChI=1S/C11H12O2/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4H,5-7H2,1H3

2.1.3 InChI Key

MDAIAXRTLTVEOU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC2=C1CCC(=O)C2

2.2 Other Identifiers

2.2.1 UNII

V6V2G5MZ9D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 32940-15-1

2. 5-methoxy-3,4-dihydronaphthalen-2(1h)-one

3. 5-methoxy-3,4-dihydro-1h-naphthalen-2-one

4. 2(1h)-naphthalenone, 3,4-dihydro-5-methoxy-

5. 5-methoxytetralin-2-one

6. 5-methoxyl-2-tetralone

7. 3,4-dihydro-5-methoxy-2(1h)-naphthalenone

8. Mfcd00064958

9. Nsc-88880

10. V6v2g5mz9d

11. 5-methoxy-1,2,3,4-tetrahydronaphthalen-2-one

12. 2-oxo-5-methoxy-1,2,3,4-tetrahydronaphthalene

13. Nsc88880

14. 5-methoxy-2-tetralon

15. 5-methoxy 2-tetralone

16. 5-methoxy-2-tetralon?

17. 5-methoxy-beta-tetralone

18. Unii-v6v2g5mz9d

19. Schembl268506

20. Amot0725

21. 5-methoxy-2-tetralone, 97%

22. Dtxsid20293356

23. 5-methoxy-.beta.-tetralone

24. Act02734

25. Bcp34513

26. Cs-b0110

27. Zinc4203726

28. Zb1797

29. Akos015851963

30. Ab02606

31. Ac-8357

32. Fs-2652

33. Sy025362

34. Db-048299

35. 2-[(phenylsulfinyl)methyl]benzoicacid

36. 3,4-dihydro-5-methoxynaphthalen-2(1h)-on

37. A5888

38. Am20040184

39. Ft-0639068

40. M1543

41. 940m151

42. J-018948

43. J-517690

44. Methoxy-2-tetralone,5-;2(1h)-naphthalenone, 3,4-dihydro-5-methoxy-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂O₂
Molecular Weight	176.21 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	176.083729621 g/mol
Monoisotopic Mass	176.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
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