Cas no 214848-08-5 (Benzoic acid, 2,5-dimethoxy-4-(phenylmethoxy)-)

Benzoic acid, 2,5-dimethoxy-4-(phenylmethoxy)- structure
214848-08-5 structure
Product Name:Benzoic acid, 2,5-dimethoxy-4-(phenylmethoxy)-
CAS No:214848-08-5
MF:C16H16O5
MW:288.295245170593
CID:1401467
PubChem ID:86205467
Update Time:2025-04-20

Benzoic acid, 2,5-dimethoxy-4-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2,5-dimethoxy-4-(phenylmethoxy)-
    • 214848-08-5
    • 4-(Benzyloxy)-2,5-dimethoxybenzoic acid
    • 2,5-Dimethoxy-4-(phenylmethoxy)benzoic acid
    • DTXSID501260820
    • Inchi: 1S/C16H16O5/c1-19-13-9-15(14(20-2)8-12(13)16(17)18)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,17,18)
    • InChI Key: MPHRFDZDEADMIB-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=C(C(C(=O)O)=CC=1OC)OC

Computed Properties

  • Exact Mass: 288.09978
  • Monoisotopic Mass: 288.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 327
  • 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: 2.9
  • Topological Polar Surface Area: 65?2

Experimental Properties

  • PSA: 64.99
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