CAS 2216-69-5

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Also known as: 2216-69-5, Naphthalene, 1-methoxy-, Methyl 1-naphthyl ether, Methoxynaphthalene, Naphthalene, methoxy-, .alpha.-methoxynaphthalene

Molecular Formula

C₁₁H₁₀O

Molecular Weight

158.20 g/mol

InChI Key

NQMUGNMMFTYOHK-UHFFFAOYSA-N

FDA UNII

DG2EOL57LF

1-methoxynaphthalene is a natural product found in Engelhardia roxburghiana with data available.

1 2D Structure

CAS 2216-69-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methoxynaphthalene

2.1.2 InChI

InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

2.1.3 InChI Key

NQMUGNMMFTYOHK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC2=CC=CC=C21

2.2 Other Identifiers

2.2.1 UNII

DG2EOL57LF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2216-69-5

2. Naphthalene, 1-methoxy-

3. Methyl 1-naphthyl Ether

4. Methoxynaphthalene

5. Naphthalene, Methoxy-

6. .alpha.-methoxynaphthalene

7. Nsc 5530

8. .alpha.-naphthyl Methyl Ether

9. 1-naphthol Methyl Ether

10. 1-naphthyl Methyl Ether

11. Dg2eol57lf

12. 57982-68-0

13. Nsc-5530

14. Alpha-methoxynaphthalene

15. Alpha-naphthyl Methyl Ether

16. 1-methoxy Naphthalene

17. Einecs 218-696-1

18. Unii-dg2eol57lf

19. Ai3-02144

20. I-methoxynaphthalin

21. 1-methoxynapthalene

22. 1-methoxy-naphthalene

23. Schembl151449

24. Methoxynaphthalene, 1-

25. 1-methoxynaphthalene, >=98%

26. Schembl3504381

27. Dtxsid5062263

28. Schembl10251245

29. Nsc5530

30. Bcp30167

31. Zinc1686999

32. Mfcd00003924

33. Akos003632549

34. Cs-w013284

35. Ds-3387

36. Hy-w012568

37. 1-methoxynaphthalene, Analytical Standard

38. Ac-23677

39. Db-019236

40. Ft-0608014

41. M0116

42. O10418

43. 1-naphthol Methyl Ether;naphthalene, 1-methoxy-

44. A815983

45. Q-200124

46. Q27276378

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₀O
Molecular Weight	158.20 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	158.073164938 g/mol
Monoisotopic Mass	158.073164938 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	144
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

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