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    CAS 63675-74-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 63675-74-1, 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene, 6-methoxy-2-(4-methoxyphenyl)benzobithiophene, 6-methoxy-2-(4-methoxyphenyl)benzothiophene, 6-methoxy-2-(4-methoxyphenyl)benzo(b)thiophene, 2-(4-methoxyphenyl)-6-methoxybenzo[b]thiophene
    Molecular Formula
    C16H14O2S
    Molecular Weight
    270.3  g/mol
    InChI Key
    HRWAGCVMOGWQJF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
    2.1.2 InChI
    InChI=1S/C16H14O2S/c1-17-13-6-3-11(4-7-13)15-9-12-5-8-14(18-2)10-16(12)19-15/h3-10H,1-2H3
    2.1.3 InChI Key
    HRWAGCVMOGWQJF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 63675-74-1

    2. 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene

    3. 6-methoxy-2-(4-methoxyphenyl)benzobithiophene

    4. 6-methoxy-2-(4-methoxyphenyl)benzothiophene

    5. 6-methoxy-2-(4-methoxyphenyl)benzo(b)thiophene

    6. 2-(4-methoxyphenyl)-6-methoxybenzo[b]thiophene

    7. Benzo[b]thiophene, 6-methoxy-2-(4-methoxyphenyl)-

    8. Mfcd02083138

    9. 2-(4-methoxy Phenyl)-6-methoxy Benzo[b]thiophene

    10. Einecs 264-408-2

    11. Mls006011668

    12. Schembl1665299

    13. Dtxsid20213054

    14. Zinc385624

    15. Amy21951

    16. Bcp08882

    17. Akos005100762

    18. 7m-358s

    19. Cs-w009444

    20. Smr002530445

    21. Sy030955

    22. 4-methoxyphenyl-6-methoxybenzo[b]thiophene

    23. 2-(4-methoxyphenyl)-6-methoxybenzothiophene

    24. A8762

    25. Ft-0640902

    26. M2345

    27. F16241

    28. 2-(4'-methoxyphenyl)-6-methoxybenzo[b]thiophene

    29. 2-(4--methoxyphenyl)-6-methoxybenzo[b]thiophene

    30. 2-(4-methoxyphenyl)-6-methoxy-1-benzothiophene

    31. 6-methoxy-2-(4-methoxyphenyl)-benzo[b]thiophene

    32. 6-methoxy-2-(4-methoxyphenyl)benzo [b]thiophene

    33. 6-methoxy-2-(4-methoxyphenyl)benzo-[b]thiophene

    34. 6-methoxy-2-(4-methoxyphenyl) -benzo[b]thiophene

    35. 675m741

    36. Sr-01000944931

    37. 2-(4'-methoxyphenyl) - 6-methoxybenzo[b]thiophene

    38. 6-methoxy-2-(4-methoxy-phenyl) -benzo[b]thiophene

    39. Sr-01000944931-1

    40. W-104887

    41. 4-(6-methoxy-1-benzothiophen-2-yl)phenyl Methyl Ether

    2.3 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 270.3 g/mol
    Molecular Formula C16H14O2S
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass270.07145086 g/mol
    Monoisotopic Mass270.07145086 g/mol
    Topological Polar Surface Area46.7 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity289
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1