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    CAS 114772-34-8

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 114772-34-8, Methyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate, Methyl 4'-methylbiphenyl-2-carboxylate, Methyl 2-(4-methylphenyl)benzoate, Methyl 2-(p-tolyl)benzoate, [1,1'-biphenyl]-2-carboxylic acid, 4'-methyl-, methyl ester
    Molecular Formula
    C15H14O2
    Molecular Weight
    226.27  g/mol
    InChI Key
    IHNIAWHITVGYJJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-(4-methylphenyl)benzoate
    2.1.2 InChI
    InChI=1S/C15H14O2/c1-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15(16)17-2/h3-10H,1-2H3
    2.1.3 InChI Key
    IHNIAWHITVGYJJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 114772-34-8

    2. Methyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate

    3. Methyl 4'-methylbiphenyl-2-carboxylate

    4. Methyl 2-(4-methylphenyl)benzoate

    5. Methyl 2-(p-tolyl)benzoate

    6. [1,1'-biphenyl]-2-carboxylic Acid, 4'-methyl-, Methyl Ester

    7. Methyl 4'-methyl[1,1'-biphenyl]-2-carboxylate

    8. 2-(p-tolyl)benzoic Acid Methyl Ester

    9. Schembl249

    10. Dtxsid00362716

    11. Bcp12224

    12. Zinc1259344

    13. Methyl 2-(4'-methylphenyl)benzoate

    14. Mfcd03453661

    15. Methyl 4'methylbiphenyl-2-carboxylate

    16. 4 Inverted Exclamation Mark -methylbiphenyl-2-carboxylic Acid Methyl Ester

    17. Akos004114791

    18. 4-methyl Methyl Biphenyl-2-carboxylate

    19. Ac-6373

    20. Am90277

    21. As-3158

    22. Methyl 4'-methyl-2-biphenylcarboxylate

    23. Methyl 4'-methyl-biphenyl-2-carboxylate

    24. Methyl 4\'-methylbiphenyl-2-carboxylate

    25. Db-002803

    26. Bb 0223440

    27. Cs-0196517

    28. Ft-0642789

    29. M1809

    30. Methyl 4'-methyl-1,1'-biphenyl-2-carboxylate

    31. Methyl 4'-methyl-(1,1'biphenyl)-2-carboxylate

    32. Methyl4'-methyl-[1,1'-biphenyl]-2-carboxylate

    33. 4'-methyl-biphenyl-2-carboxylic Acid Methyl Ester

    34. 772m348

    35. A803227

    36. J-003130

    37. J-522379

    38. Methyl 4'-methyl-(1, 1'-biphenyl)-2-carboxylate

    39. Methyl-4'-methyl-1,1'-biphenyl-2-carboxylate

    40. [1,1'-biphenyl]-2-carboxylic Acid,4'-methyl-,methyl Ester

    41. 4'-methylbiphenyl-2-carboxylic Acid Methyl Ester, Aldrichcpr

    2.3 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 226.27 g/mol
    Molecular Formula C15H14O2
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass226.099379685 g/mol
    Monoisotopic Mass226.099379685 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity254
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1