Cas no 68828-47-7 (1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl acetate)

1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl acetate structure
68828-47-7 structure
Product Name:1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl acetate
CAS No:68828-47-7
MF:C24H20O3
MW:356.413806915283
CID:1731325
PubChem ID:3052493
Update Time:2025-04-21

1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl acetate Chemical and Physical Properties

Names and Identifiers

    • [1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl] acetate
    • 1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl acetate
    • 2-Naphthalenol, 1-((2-methoxy-1-naphthalenyl)methyl)-, acetate
    • 68828-47-7
    • BRN 2306636
    • 3-06-00-05884 (Beilstein Handbook Reference)
    • 1-((2-Methoxy-1-naphthalenyl)methyl)-2-naphthalenol acetate
    • DTXSID50218931
    • SCHEMBL20414574
    • Inchi: 1S/C24H20O3/c1-16(25)27-24-14-12-18-8-4-6-10-20(18)22(24)15-21-19-9-5-3-7-17(19)11-13-23(21)26-2/h3-14H,15H2,1-2H3
    • InChI Key: LWLQYFQFGWPXIH-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC2C=CC=CC=2C=1CC1=C(C=CC2C=CC=CC1=2)OC(C)=O

Computed Properties

  • Exact Mass: 356.1413
  • Monoisotopic Mass: 356.14124450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 5
  • Complexity: 504
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.1
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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