Cas no 879219-31-5 (1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene)

1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene structure
879219-31-5 structure
Product Name:1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene
CAS No:879219-31-5
MF:C50H46O6
MW:742.896654605865
CID:2810930
PubChem ID:59592424
Update Time:2025-04-21

1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene Chemical and Physical Properties

Names and Identifiers

    • SCHEMBL21026818
    • 1,3-Bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-ethylbenzene
    • DTXSID90732449
    • 879219-31-5
    • 1,1',1'',1'''-{(5-Ethyl-1,3-phenylene)bis[oxymethylenebenzene-5,1,3-triylbis(oxymethylene)]}tetrabenzene
    • Inchi: 1S/C50H46O6/c1-2-38-23-45(55-36-43-25-47(51-32-39-15-7-3-8-16-39)30-48(26-43)52-33-40-17-9-4-10-18-40)29-46(24-38)56-37-44-27-49(53-34-41-19-11-5-12-20-41)31-50(28-44)54-35-42-21-13-6-14-22-42/h3-31H,2,32-37H2,1H3
    • InChI Key: ZPMOWIOMDPVJRD-UHFFFAOYSA-N
    • SMILES: O(CC1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1)C1C=C(C=C(C=1)CC)OCC1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 742.32943918Da
  • Monoisotopic Mass: 742.32943918Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 19
  • Complexity: 893
  • 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: 11.5
  • Topological Polar Surface Area: 55.4?2
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