Cas no 108853-15-2 (1,2,3-trimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene)

1,2,3-trimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene structure
108853-15-2 structure
Product Name:1,2,3-trimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CAS No:108853-15-2
MF:C18H22O4
MW:302.364885807037
CID:1186417
PubChem ID:15696377
Update Time:2025-04-20

1,2,3-trimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-trimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
    • ACMC-20mbut
    • CTK0G2594
    • dimethyl ether of aloifol I
    • Benzene, 1,2,3-trimethoxy-5-[2-(3-methoxyphenyl)ethyl]-
    • CHEMBL87241
    • aloifol I dimethyl ether
    • 1,2,3-trimethoxy-5-(3-methoxyphenethyl)benzene
    • ACMC-20mbut; CTK0G2594; dimethyl ether of aloifol I; Benzene, 1,2,3-trimethoxy-5-[2-(3-methoxyphenyl)ethyl]-; CHEMBL87241; aloifol I dimethyl ether; 1,2,3-trimethoxy-5-(3-methoxyphenethyl)benzene;
    • DTXSID90576986
    • 108853-15-2
    • Inchi： 1S/C18H22O4/c1-19-15-7-5-6-13(10-15)8-9-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-7,10-12H,8-9H2,1-4H3
    • InChI Key： NUHKDACBBFNRPM-UHFFFAOYSA-N
    • SMILES： O(C)C1C(=C(C=C(C=1)CCC1C=CC=C(C=1)OC)OC)OC

Computed Properties

  • Exact Mass: 302.15186
  • Monoisotopic Mass: 302.15180918g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 296
  • 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: 4
  • Topological Polar Surface Area: 36.9?2

Experimental Properties

  • PSA: 36.92
  • LogP: 3.50620

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