Also known as: 26159-36-4, (-)-2-(6-methoxy-2-naphthyl)-1-propanol, (-)-6-methoxy-beta-methyl-2-naphthaleneethanol, Rs-4034, (2s)-2-(6-methoxynaphthalen-2-yl)propan-1-ol, (s)-(-)-2-(6-methoxy-2-naphthyl)-1-propanol

Molecular Formula

C₁₄H₁₆O₂

Molecular Weight

216.27 g/mol

InChI Key

LTRANDSQVZFZDG-SNVBAGLBSA-N

FDA UNII

33S398GAY6

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-ol

2.1.2 InChI

InChI=1S/C14H16O2/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10,15H,9H2,1-2H3/t10-/m1/s1

2.1.3 InChI Key

LTRANDSQVZFZDG-SNVBAGLBSA-N

2.1.4 Canonical SMILES

CC(CO)C1=CC2=C(C=C1)C=C(C=C2)OC

2.1.5 Isomeric SMILES

C[C@H](CO)C1=CC2=C(C=C1)C=C(C=C2)OC

2.2 Other Identifiers

2.2.1 UNII

33S398GAY6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 26159-36-4

2. (-)-2-(6-methoxy-2-naphthyl)-1-propanol

3. (-)-6-methoxy-beta-methyl-2-naphthaleneethanol

4. Rs-4034

5. (2s)-2-(6-methoxynaphthalen-2-yl)propan-1-ol

6. (s)-(-)-2-(6-methoxy-2-naphthyl)-1-propanol

7. Chebi:61022

8. Nsc-758618

9. (-)-(s)-6-methoxy-beta-methyl-2-naphthaleneethanol

10. (s)-2-(6-methoxynaphthalen-2-yl)propan-1-ol

11. 33s398gay6

12. (2s)-2-(6-methoxy-2-naphthyl)propan-1-ol

13. Naproxolum

14. Naproxol [usan:inn]

15. Unii-33s398gay6

16. Ncgc00095068-01

17. Rs 4034

18. Spectrum_001498

19. Naproxol [usan]

20. Naproxol (usan/inn)

21. Naproxol [inn]

22. Spectrum2_000494

23. Spectrum3_000973

24. Spectrum4_001097

25. Spectrum5_001281

26. Epitope Id:139984

27. Dsstox_cid_25904

28. Dsstox_rid_81216

29. Dsstox_gsid_45904

30. Schembl43203

31. Bspbio_002605

32. Kbiogr_001514

33. Kbioss_001978

34. Spectrum1503801

35. Spbio_000387

36. 2-naphthaleneethanol, 6-methoxy-.beta.-methyl-, (s)-

37. Chembl2105135

38. Dtxsid1045904

39. Kbio2_001978

40. Kbio2_004546

41. Kbio2_007114

42. Kbio3_001825

43. Hms1922g22

44. Hms2093k03

45. Pharmakon1600-01503801

46. Zinc2013137

47. Tox21_111409

48. Ccg-39576

49. Mfcd28963672

50. Nsc758618

51. Nsc 758618

52. Ncgc00178581-01

53. Sbi-0051841.p002

54. Cas-26159-36-4

55. (s)-2-(6-methoxy-naphthalen-2-yl)-propan-ol

56. D05121

57. Sr-05000002061

58. Sr-05000002061-1

59. 2-naphthaleneethanol, 6-methoxy-beta-methyl-, (s)-

60. Brd-k34014345-001-02-6

61. Q27130569

62. (-)-(s)-6-methoxy-.beta.-methyl-2-naphthaleneethanol

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₆O₂
Molecular Weight	216.27 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	216.115029749 g/mol
Monoisotopic Mass	216.115029749 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Naproxol

Naproxol

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