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    CAS 177034-57-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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