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    CAS-41340-36-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 41340-36-7, 7-ethyltryptophol, 7-ethyl tryptophol, 7-ethyl-3-indoleethanol, 7-ethyl-1h-indole-3-ethanol, 1h-indole-3-ethanol, 7-ethyl-
    Molecular Formula
    C12H15NO
    Molecular Weight
    189.25  g/mol
    InChI Key
    UVSDNCAZVSQJQA-UHFFFAOYSA-N
    FDA UNII
    JJ4LB8KM8O
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(7-ethyl-1H-indol-3-yl)ethanol
    2.1.2 InChI
    InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3
    2.1.3 InChI Key
    UVSDNCAZVSQJQA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=C2C(=CC=C1)C(=CN2)CCO
    2.2 Other Identifiers
    2.2.1 UNII
    JJ4LB8KM8O
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 41340-36-7

    2. 7-ethyltryptophol

    3. 7-ethyl Tryptophol

    4. 7-ethyl-3-indoleethanol

    5. 7-ethyl-1h-indole-3-ethanol

    6. 1h-indole-3-ethanol, 7-ethyl-

    7. 2-(7-ethyl-1h-indol-3-yl)-ethanol

    8. 7-ethyl-3-(2-hydroxyethyl)indole

    9. Jj4lb8km8o

    10. 2-(7-ethylindol-3-yl)ethanol

    11. Ccris 5406

    12. Rak-801

    13. Brn 1074382

    14. Etodolac Impurity H

    15. 2-(7-ethyl-1h-indol-3-yl)ethan-1-ol

    16. 7-ethylindole-3-ethanol

    17. Unii-jj4lb8km8o

    18. 3-(7-ethylindole)ethanol

    19. Ec 431-020-1

    20. Dsstox_cid_31530

    21. Dsstox_rid_97415

    22. Dsstox_gsid_57741

    23. Schembl4803022

    24. Chembl3182675

    25. Dtxsid1057741

    26. Zinc2383204

    27. Tox21_113757

    28. 7-ethyl-3-(2-hydroxy Ethyl)indole

    29. Mfcd01718805

    30. Akos005259419

    31. 2-(3a-ethyl-3ah-indol-3-yl)ethanol

    32. Ac-7753

    33. Sb37105

    34. Ncgc00253629-01

    35. As-12049

    36. Cas-41340-36-7

    37. Db-049741

    38. E0824

    39. Ft-0639708

    40. E-9050

    41. F20442

    42. 340e367

    43. A825522

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 189.25 g/mol
    Molecular Formula C12H15NO
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass189.115364102 g/mol
    Monoisotopic Mass189.115364102 g/mol
    Topological Polar Surface Area36 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity183
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1