Cas no 25485-93-2 (Benzoic acid,2-hydroxy-5-methoxy-, 2-phenylethyl ester)

Benzoic acid,2-hydroxy-5-methoxy-, 2-phenylethyl ester structure
25485-93-2 structure
Product Name:Benzoic acid,2-hydroxy-5-methoxy-, 2-phenylethyl ester
CAS No:25485-93-2
MF:C16H16O4
MW:272.295845031738
CID:284276
PubChem ID:213101
Update Time:2025-04-19

Benzoic acid,2-hydroxy-5-methoxy-, 2-phenylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-hydroxy-5-methoxy-, 2-phenylethyl ester
    • 2-phenylethyl 2-hydroxy-5-methoxybenzoate
    • Benzoic acid, 2-hydroxy-5-methoxy-, 2-phenylethyl ester
    • 2-Phenethyl 2-hydroxy-5-methoxybenzoate
    • Hydroxy-2 methoxy-5 benzoate de phenyl-ethyle [French]
    • Hydroxy-2 methoxy-5 benzoate de phenyl-ethyle
    • DTXSID20180171
    • m-Anisic acid, 6-hydroxy-, phenethyl ester
    • 25485-93-2
    • Inchi: 1S/C16H16O4/c1-19-13-7-8-15(17)14(11-13)16(18)20-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
    • InChI Key: QNVSTEGIHDXQCU-UHFFFAOYSA-N
    • SMILES: O(C(C1C(=CC=C(C=1)OC)O)=O)CCC1C=CC=CC=1

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: 6
  • Complexity: 299
  • 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: 3.9
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76
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