Cas no 401841-81-4 ((2R)-2-[(R)-hydroxy(phenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one)

(2R)-2-[(R)-hydroxy(phenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one structure
401841-81-4 structure
Product Name:(2R)-2-[(R)-hydroxy(phenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
CAS No:401841-81-4
MF:C17H16O2
MW:252.307744979858
CID:2850099
PubChem ID:71362297
Update Time:2025-04-21

(2R)-2-[(R)-hydroxy(phenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one Chemical and Physical Properties

Names and Identifiers

    • DTXSID10785932
    • 401841-81-4
    • (2R)-2-[(R)-hydroxy(phenyl)methyl]-3,4-dihydro-2H-naphthalen-1-one
    • Inchi: 1S/C17H16O2/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)19/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
    • InChI Key: TWAVTCKDZDHUSS-CVEARBPZSA-N
    • SMILES: O[C@@H](C1C=CC=CC=1)[C@@H]1C(C2C=CC=CC=2CC1)=O

Computed Properties

  • Exact Mass: 252.115029749Da
  • Monoisotopic Mass: 252.115029749Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 319
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 37.3?2
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