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    CAS 52490-15-0

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    CAS 52490-15-0
    Also known as: 52490-15-0, (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)methanone, L-3372, (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone, Methanone, (2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-, (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone
    Molecular Formula
    C19H18O3
    Molecular Weight
    294.3  g/mol
    InChI Key
    ZHGKQUXXASLVQQ-UHFFFAOYSA-N
    FDA UNII
    7PK1H9HDST
    1 2D Structure

    CAS 52490-15-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
    2.1.2 InChI
    InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
    2.1.3 InChI Key
    ZHGKQUXXASLVQQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
    2.2 Other Identifiers
    2.2.1 UNII
    7PK1H9HDST
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 52490-15-0

    2. (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)methanone

    3. L-3372

    4. (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

    5. Methanone, (2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-

    6. (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone

    7. Amiodarone Impurity E

    8. (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

    9. 7pk1h9hdst

    10. 4-(2-butyl-1-benzofuran-3-carbonyl)phenol

    11. Chebi:79569

    12. Nsc85438

    13. Nsc-85438

    14. (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)-methanone

    15. (2-butyl-benzofuran-3-yl)-(4-hydroxy-phenyl)-methanone

    16. L 3372

    17. 2-butyl-3-(4-hydroxybenzoyl)-benzofuran

    18. Unii-7pk1h9hdst

    19. (2-butylbenzofuran-3-yl) (4-hydroxyphenyl) Ketone

    20. Einecs 257-959-5

    21. 2-butyl-3-(4-hydroxybenzoyl) Benzofuran

    22. Chemdiv3_001455

    23. Nciopen2_004928

    24. Oprea1_408298

    25. Oprea1_854919

    26. Schembl1287970

    27. Chembl1523279

    28. Bdbm18964

    29. Amy3305

    30. Dtxsid40200486

    31. Hms1477c03

    32. Act01879

    33. Albb-014278

    34. Bcp12498

    35. Zinc1760380

    36. Amiodarone Related Compound C

    37. Mfcd00040947

    38. Nsc 85438

    39. Stk993691

    40. Akos000521104

    41. Ac-8754

    42. Idi1_020421

    43. 2-butyl-3-(4'-hydroxybenzoyl)benzofuran

    44. As-68414

    45. 2-butyl-3-(4-hydroxy Benzoyl)benzofuran

    46. 2-n-butyl-3-(4-hydroxybenzoyl)benzofuran

    47. 2-n-butyl-3-(4'-hydroxybenzoyl)benzofuran

    48. Db-020749

    49. 2-butyl-3-(4-hydroxybenzoyl)-benzo[b]furan

    50. 2-n-butyl-3-(4-hydroxy-benzoyl)-benzofuran

    51. B3339

    52. Ft-0602488

    53. Unm000011033701

    54. 2-butyl-3-benzofuranyl P-hydroxyphenyl Ketone

    55. 2-n-butyl-3-(4-hydroxybenzoyl)benzo[b]furan

    56. D87732

    57. 4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol

    58. (2-butylbenzofuran-3-yl)-(4-hydroxyphenyl)ketone

    59. 490b150

    60. W-105818

    61. (2-buty-lbenzofuran-3-yl)(4-hydroxyphenyl)meth Anone

    62. Brd-k31030218-001-01-1

    63. Ketone, 2-butyl-3-benzofuranyl P-hydroxyphenyl

    64. Q27148683

    65. Amiodarone Hydrochloride Impurity E [ep Impurity]

    66. (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone #

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 294.3 g/mol
    Molecular Formula C19H18O3
    XLogP35.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass294.125594432 g/mol
    Monoisotopic Mass294.125594432 g/mol
    Topological Polar Surface Area50.4 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity373
    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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