CAS 177034-57-0

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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 Formula	C₁₂H₁₈O₃
Molecular Weight	210.27 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.7
Heavy Atom Count	15
Formal Charge	0
Complexity	151
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