Cas no 158770-34-4 (Benzoic acid,4-[4-(phenylmethoxy)phenoxy]-)

Benzoic acid,4-[4-(phenylmethoxy)phenoxy]- structure
158770-34-4 structure
Product Name:Benzoic acid,4-[4-(phenylmethoxy)phenoxy]-
CAS No:158770-34-4
MF:C20H16O4
MW:320.338645935059
CID:109001
PubChem ID:22484919
Update Time:2025-04-18

Benzoic acid,4-[4-(phenylmethoxy)phenoxy]- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-[4-(phenylmethoxy)phenoxy]-
    • BENZOIC ACID, 4-[4-(PHENYLMETHOXY)PHENOXY]-
    • SCHEMBL1221359
    • AKOS015964074
    • 4-(4-phenylmethoxyphenoxy)benzoic acid
    • IHIYWIBRNMVSNY-UHFFFAOYSA-N
    • 158770-34-4
    • 4-(4-benzyloxy-phenoxy)-benzoic acid
    • Inchi: 1S/C20H16O4/c21-20(22)16-6-8-18(9-7-16)24-19-12-10-17(11-13-19)23-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,21,22)
    • InChI Key: IHIYWIBRNMVSNY-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)OC1C=CC(C(=O)O)=CC=1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 320.10488
  • Monoisotopic Mass: 320.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 375
  • 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: 4.8
  • Topological Polar Surface Area: 55.8A^2

Experimental Properties

  • PSA: 55.76
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