Cas no 22375-06-0 (Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-)

Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)- structure
22375-06-0 structure
Product Name:Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-
CAS No:22375-06-0
MF:C16H16O4
MW:272.295845031738
CID:1409673
PubChem ID:11043902
Update Time:2025-04-20

Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-methoxy-6-methyl-4-(phenylmethoxy)-
    • 2-methoxy-6-methyl-4-phenylmethoxybenzoic acid
    • DB-395776
    • 4-(BENZYLOXY)-2-METHOXY-6-METHYLBENZOIC ACID
    • SCHEMBL22490923
    • 22375-06-0
    • DTXSID60453154
    • Inchi: 1S/C16H16O4/c1-11-8-13(9-14(19-2)15(11)16(17)18)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,18)
    • InChI Key: SXPSIOUMJVFLAV-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=C(C(C(=O)O)=C(C)C=1)OC

Computed Properties

  • Exact Mass: 272.10488
  • Monoisotopic Mass: 272.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 312
  • 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: 3.2
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76
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