Please Wait
Applying Filters...
menu
    • menu
    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 178306-52-0

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 178306-52-0, (s)-2-hydroxy-3-methoxy-3,3-diphenylpropionic acid, (2s)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid, Byc8hkb4js, Benzenepropanoic acid,a-hydroxy-b-methoxy-b-phenyl-,(as)-, Benzenepropanoic acid, alpha-hydroxy-beta-methoxy-beta-phenyl-, (alphas)-
    Molecular Formula
    C16H16O4
    Molecular Weight
    272.29  g/mol
    InChI Key
    RQJWOLFMWKZKCJ-CQSZACIVSA-N
    FDA UNII
    BYC8HKB4JS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
    2.1.2 InChI
    InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)/t14-/m1/s1
    2.1.3 InChI Key
    RQJWOLFMWKZKCJ-CQSZACIVSA-N
    2.1.4 Canonical SMILES
    COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)O
    2.1.5 Isomeric SMILES
    COC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H](C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    BYC8HKB4JS
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 178306-52-0

    2. (s)-2-hydroxy-3-methoxy-3,3-diphenylpropionic Acid

    3. (2s)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic Acid

    4. Byc8hkb4js

    5. Benzenepropanoic Acid,a-hydroxy-b-methoxy-b-phenyl-,(as)-

    6. Benzenepropanoic Acid, Alpha-hydroxy-beta-methoxy-beta-phenyl-, (alphas)-

    7. Mfcd11113284

    8. Fd7216

    9. Unii-byc8hkb4js

    10. Schembl570658

    11. (s)-2-hydroxy-3-methoxy-3,3-diphenylpropanoicacid

    12. Amy1844

    13. Dtxsid20572219

    14. Bcp04673

    15. Zinc40443136

    16. Akos015907675

    17. As-19559

    18. Cs-0150662

    19. H1568

    20. 306h520

    21. (s)-2-hydroxy-3,3-diphenyl-3-methoxypropanoic Acid

    22. (s)-2-hydroxy-3-methoxy-3,3-diphenyl Propionic Acid

    23. (s)-2-hydroxyl -3-methoxy-3,3-diphenylpropanoic Acid

    24. Benzenepropanoic Acid, .alpha.-hydroxy-.beta.-methoxy-.beta.-phenyl-, (.alpha.s)-

    2.4 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 272.29 g/mol
    Molecular Formula C16H16O4
    XLogP32
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass272.10485899 g/mol
    Monoisotopic Mass272.10485899 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity298
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1