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CAS 177034-57-0
Also known as: 177034-57-0, 4-isopropoxyethoxymethylphenol, 4-[(2-isopropoxyethoxy)methyl]phenol, 4-(2-isopropoxyethoxymethyl)phenol, 4-isopropoxyethoxymethyl-1-hydroxybenzene, 4-(2-propan-2-yloxyethoxymethyl)phenol
Molecular Formula
C12H18O3
Molecular Weight
210.27  g/mol
InChI Key
ISQLWWCGQXEAJG-UHFFFAOYSA-N
FDA UNII
NSD8NPN3DF

1 2D Structure

CAS 177034-57-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-propan-2-yloxyethoxymethyl)phenol
2.1.2 InChI
InChI=1S/C12H18O3/c1-10(2)15-8-7-14-9-11-3-5-12(13)6-4-11/h3-6,10,13H,7-9H2,1-2H3
2.1.3 InChI Key
ISQLWWCGQXEAJG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)OCCOCC1=CC=C(C=C1)O
2.2 Other Identifiers
2.2.1 UNII
NSD8NPN3DF
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 177034-57-0

2. 4-isopropoxyethoxymethylphenol

3. 4-[(2-isopropoxyethoxy)methyl]phenol

4. 4-(2-isopropoxyethoxymethyl)phenol

5. 4-isopropoxyethoxymethyl-1-hydroxybenzene

6. 4-(2-propan-2-yloxyethoxymethyl)phenol

7. Phenol, 4-[[2-(1-methylethoxy)ethoxy]methyl]-

8. Nsd8npn3df

9. 4-{[2-(propan-2-yloxy)ethoxy]methyl}phenol

10. Mfcd07782147

11. Phenol, 4-((2-(1-methylethoxy)ethoxy)methyl)-

12. 4-isopropoxyethoxy Methyl-1-hydroxy Benzene

13. Unii-nsd8npn3df

14. Schembl3369539

15. Dtxsid30436898

16. Isqlwwcgqxeajg-uhfffaoysa-n

17. P-(2-isopropoxyethoxy)methylphenol

18. Amy40365

19. Bbl102297

20. Stl556096

21. Akos015961981

22. 4-((2-isopropoxyethoxy) Methyl)phenol

23. Ac-4498

24. Ms-20420

25. Db-028588

26. 4-((2-(1-methylethoxy)ethoxy)methyl)phenol

27. Cs-0448510

28. F20502

29. 4-({2-[(propan-2-yl)oxy]ethoxy}methyl)phenol

30. A812233

31. J-011248

32. Phenol,4-[[2-(1-methylethoxy)ethoxy]methyl]-

33. 4-(1-isopropoxyethoxymethyl)phenol;4-isopropoxyethoxymethylphenol

34. 4-[(2-isopropoxyethoxy)methyl]phenol; Bisoprolol Fumarate Imp. M (pharmeuropa); Bisoprolol Fumarate Impurity M; Bisoprolol Impurity M

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 210.27 g/mol
Molecular Formula C12H18O3
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area38.7
Heavy Atom Count15
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Alkaloids is a family company established in 1967. Starting with production of natural Caffeine, quite a...
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