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2D Structure
Also known as: 1078-19-9, 6-methoxy-3,4-dihydronaphthalen-1(2h)-one, 6-methoxytetralone, 6-methoxy-alpha-tetralone, 6-methoxy-3,4-dihydro-2h-naphthalen-1-one, 1(2h)-naphthalenone, 3,4-dihydro-6-methoxy-
Molecular Formula
C11H12O2
Molecular Weight
176.21  g/mol
InChI Key
MNALUTYMBUBKNX-UHFFFAOYSA-N
FDA UNII
IA52U30635

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
2.1.2 InChI
InChI=1S/C11H12O2/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7H,2-4H2,1H3
2.1.3 InChI Key
MNALUTYMBUBKNX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC2=C(C=C1)C(=O)CCC2
2.2 Other Identifiers
2.2.1 UNII
IA52U30635
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1078-19-9

2. 6-methoxy-3,4-dihydronaphthalen-1(2h)-one

3. 6-methoxytetralone

4. 6-methoxy-alpha-tetralone

5. 6-methoxy-3,4-dihydro-2h-naphthalen-1-one

6. 1(2h)-naphthalenone, 3,4-dihydro-6-methoxy-

7. 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

8. 6-methoxy-3,4-dihydro-1(2h)-naphthalenone

9. 6-methoxy-.alpha.-tetralone

10. 6-methoxytetralin-1-one

11. 3,4-dihydro-6-methoxy-1(2h)-naphthalenone

12. Mfcd00001695

13. Mls002608330

14. Nsc-41700

15. Ia52u30635

16. 6-methoxy-1,2,3,4-tetrahydro-1-naphthalenone

17. 3,4-dihydro-6-methoxy-1(2h)-naphthalenone; 1,2,3,4-tetrahydro-6-methoxy-1-naphthalenone; 1-oxo-1,2,3,4-tetrahydro-6-methoxynaphthalene; 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-one;

18. 6-methoxy-?1-?tetralone

19. 6-methoxy-a-tetralone

20. Unii-ia52u30635

21. Nsc41700

22. 6-methoxy Tetralone

23. 6-methoxy-tetralone

24. Einecs 214-078-0

25. Nsc 41700

26. 6-methoxy-1tetralone

27. 6-methoxy 1-tetralone

28. 6-methoxy- 1-tetralone

29. Ec 214-078-0

30. Dsstox_cid_31406

31. Dsstox_rid_97292

32. Dsstox_gsid_57617

33. Schembl115638

34. 6-mt

35. 6-methoxy-1-tetralone, 99%

36. Chembl1900603

37. Dtxsid6057617

38. Amy6102

39. Hms3085i19

40. Act03095

41. Cs-d1691

42. Zinc3850328

43. Tox21_113778

44. Ac-575

45. Stk801788

46. Akos000120808

47. 3,4-dihydro-6-methoxy-1-napthalenone

48. Mb00111

49. Ps-5771

50. 3,4-dihydro-6-methoxy-1-naphthalenone

51. Ncgc00253652-01

52. Smr001527079

53. Sy001734

54. 6-methoxy-.alpha.-tetralone [mi]

55. Cas-1078-19-9

56. 1(2h)-naphthalenone,4-dihydro-6-methoxy-

57. Db-040785

58. 3,4-dihydro-6-methoxynaphthalen-1(2h)-on

59. 6-methoxy-3,4-dihydro-2h-naphthalin-1-on

60. Ft-0621180

61. M0787

62. 6-methoxy-3,4-dihydronaphthalen-1 (2h)-one

63. 78m199

64. 1-oxo-1,2,3,4-tetrahydro-6-methoxynaphthalene

65. 6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalene

66. J-002018

67. J-518836

68. 6-methoxy-3,4-dihydronaphthalene-1(2h)-one

69. Q27280629

70. 1,2,3,4-tetrahydro-6-methoxy-1-naphthalenone

71. F0001-0157

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 176.21 g/mol
Molecular Formula C11H12O2
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.083729621 g/mol
Monoisotopic Mass176.083729621 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1