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    CAS 2380-91-8

    PharmaCompass
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    2D Structure
    Also known as: 2380-91-8, 1-(p-hydroxyphenyl) ethanol, 4-hydroxyphenyl methyl carbinol, 1-(4'-hydroxyphenyl)ethanol, 4-hydroxy-alpha-methylbenzyl alcohol, 1-(4-hydroxyphenyl)ethanol
    Molecular Formula
    C8H10O2
    Molecular Weight
    138.16  g/mol
    InChI Key
    PMRFBLQVGJNGLU-UHFFFAOYSA-N
    1-(4-hydroxyphenyl)ethanol is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(1-hydroxyethyl)phenol
    2.1.2 InChI
    InChI=1S/C8H10O2/c1-6(9)7-2-4-8(10)5-3-7/h2-6,9-10H,1H3
    2.1.3 InChI Key
    PMRFBLQVGJNGLU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC=C(C=C1)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2380-91-8

    2. 1-(p-hydroxyphenyl) Ethanol

    3. 4-hydroxyphenyl Methyl Carbinol

    4. 1-(4'-hydroxyphenyl)ethanol

    5. 4-hydroxy-alpha-methylbenzyl Alcohol

    6. 1-(4-hydroxyphenyl)ethanol

    7. Benzenemethanol, 4-hydroxy-.alpha.-methyl-

    8. 4-hydroxy-alpha-methyl-benzenemethanol

    9. 1-(p-hydroxyphenyl)ethanol

    10. Chebi:31042

    11. 166164-76-7

    12. Einecs 219-176-7

    13. Benzenemethanol, 4-hydroxy-alpha-methyl-

    14. Bmse010001

    15. Schembl101582

    16. P-hydroxyphenyl Methyl Carbinol

    17. Chembl507057

    18. Dtxsid30862911

    19. Mfcd00016858

    20. Akos000249587

    21. Cs-w006209

    22. H1694

    23. Ns00050115

    24. En300-74400

    25. Benzenemethanol, 4-hydroxy-

    26. A-methyl-, (

    27. Ar)-

    28. A816917

    29. W-107373

    30. Q27114094

    2.3 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 138.16 g/mol
    Molecular Formula C8H10O2
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area40.5
    Heavy Atom Count10
    Formal Charge0
    Complexity95.4
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1