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    500-49-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 500-49-2, Divarin, 1,3-benzenediol, 5-propyl-, 5-propyl-1,3-benzenediol, Divarinol, 5-propylresorcinol
    Molecular Formula
    C9H12O2
    Molecular Weight
    152.19  g/mol
    InChI Key
    FRNQLQRBNSSJBK-UHFFFAOYSA-N
    FDA UNII
    V6Z4S3VKS6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-propylbenzene-1,3-diol
    2.1.2 InChI
    InChI=1S/C9H12O2/c1-2-3-7-4-8(10)6-9(11)5-7/h4-6,10-11H,2-3H2,1H3
    2.1.3 InChI Key
    FRNQLQRBNSSJBK-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    V6Z4S3VKS6
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 500-49-2

    2. Divarin

    3. 1,3-benzenediol, 5-propyl-

    4. 5-propyl-1,3-benzenediol

    5. Divarinol

    6. 5-propylresorcinol

    7. Mfcd10686919

    8. 5-n-propylresorcinol

    9. V6z4s3vks6

    10. 1,3-dihydroxy-5-propylbenzene

    11. Chebi:144241

    12. Dtxsid40198172

    13. 5-n-propyl-1,3-dihydroxybenzene

    14. 5-propyl Resorcinol; 5-propylresorcinol; 5-n-propyl-1,3-dihydroxybenzene; 5-n-propylresorcinol; Divarin; Divarinol

    15. 5-propyl Resorcinol

    16. Schembl67909

    17. Dtxcid70120663

    18. Frnqlqrbnssjbk-uhfffaoysa-n

    19. Akos022634802

    20. Sy042170

    21. Ws-00349

    22. Db-207184

    23. Cs-0168735

    24. En300-36597

    25. W19028

    26. A1-02506

    27. Z367653796

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 152.19 g/mol
    Molecular Formula C9H12O2
    XLogP32.6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area40.5
    Heavy Atom Count11
    Formal Charge0
    Complexity104
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1