CAS 63659-17-6

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Also known as: 63659-17-6, 2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane, [[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane, Betaxolol oxirane analog, Kfh7n7w7xh, Oxirane, ((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-

Molecular Formula

C₁₅H₂₀O₃

Molecular Weight

248.32 g/mol

InChI Key

DQRZXLUCRJNWKV-UHFFFAOYSA-N

FDA UNII

KFH7N7W7XH

1 2D Structure

CAS 63659-17-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane

2.1.2 InChI

InChI=1S/C15H20O3/c1-2-13(1)9-16-8-7-12-3-5-14(6-4-12)17-10-15-11-18-15/h3-6,13,15H,1-2,7-11H2

2.1.3 InChI Key

DQRZXLUCRJNWKV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1COCCC2=CC=C(C=C2)OCC3CO3

2.2 Other Identifiers

2.2.1 UNII

KFH7N7W7XH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 63659-17-6

2. 2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane

3. [[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane

4. Betaxolol Oxirane Analog

5. Kfh7n7w7xh

6. Oxirane, ((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-

7. (2rs)-2-((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)oxirane

8. Oxirane, 2-((4-(2-(cyclopropylmethoxy)ethyl)phenoxy)methyl)-

9. 2-({4-[2-(cyclopropylmethoxy)ethyl]phenoxy}methyl)oxirane

10. 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2,3-epoxypropane

11. 1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2,3-epoxypropane

12. 1-{4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy}-2,3-epoxypropane

13. 1-(4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy)-2,3-epoxypropane

14. Betaxolol Ep Impurity C

15. Unii-kfh7n7w7xh

16. Schembl3431470

17. Dtxsid40472924

18. Akos016003233

19. Betaxolol Hydrochloride Impurity C [ep]

20. Ft-0665394

21. D87673

22. Betaxolol Hydrochloride Impurity C [ep Impurity]

23. 1-[4-(2-cyclopropylmethoxyethyl)phenoxy]-2,3-epoxypropane

24. 1-[4-(2cyclopropylmethoxyethyl)phenoxy]-2,3-epoxypropane

25. 1-[4-(2-cyclopropylmethoxy-ethyl)phenoxy]-2,3-epoxypropane

26. 1- {4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy}-2,3-epoxypropane

27. 1-[2-(cyclopropyl-methoxy)-ethyl]-4-(2,3-epoxypropoxy)-benzene

28. 1-[2-(cyclopropyl-methoxy)ethyl]-4-(2,3-epoxypropoxy)-benzene

29. 1-{(4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy)-2, 3-epoxypropane

30. 1-{(4-[2-(cyclopropylmethoxy)-ethyl]-phenoxy)-2,3-epoxypropane

31. 2-({4-[2-(cyclopropylmethoxy)ethyl]phenoxymethyl)oxirane

2.4 Create Date

2006-10-27

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₀O₃
Molecular Weight	248.32 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	248.14124450 g/mol
Monoisotopic Mass	248.14124450 g/mol
Topological Polar Surface Area	31 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	244
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1