Cas no 52117-23-4 (Methanone, (2,4-dihydroxy-3-methylphenyl)phenyl-)

Methanone, (2,4-dihydroxy-3-methylphenyl)phenyl- structure
52117-23-4 structure
Product Name:Methanone, (2,4-dihydroxy-3-methylphenyl)phenyl-
CAS No:52117-23-4
MF:C14H12O3
MW:228.243284225464
CID:360588
PubChem ID:14224898
Update Time:2025-04-19

Methanone, (2,4-dihydroxy-3-methylphenyl)phenyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (2,4-dihydroxy-3-methylphenyl)phenyl-
    • (2,4-dihydroxy-3-methylphenyl)-phenylmethanone
    • (2,4-Dihydroxy-3-methylphenyl)(phenyl)methanone
    • (2,4-dihydroxy-3-methyl-phenyl)-phenyl-methanone
    • 2,4-dihydroxy-3-methylbenzophenone
    • SCHEMBL2859239
    • 52117-23-4
    • NEANPRQTNOPNGE-UHFFFAOYSA-N
    • DTXSID50557655
    • Inchi: 1S/C14H12O3/c1-9-12(15)8-7-11(13(9)16)14(17)10-5-3-2-4-6-10/h2-8,15-16H,1H3
    • InChI Key: NEANPRQTNOPNGE-UHFFFAOYSA-N
    • SMILES: OC1=C(C)C(=CC=C1C(C1C=CC=CC=1)=O)O

Computed Properties

  • Exact Mass: 228.07866
  • Monoisotopic Mass: 228.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 271
  • 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: 3.5
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53
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