Cas no 113276-63-4 (1,3-Benzenediol,5-[2-(2-hydroxyphenyl)ethyl]-)

1,3-Benzenediol,5-[2-(2-hydroxyphenyl)ethyl]- structure
113276-63-4 structure
Product Name:1,3-Benzenediol,5-[2-(2-hydroxyphenyl)ethyl]-
CAS No:113276-63-4
MF:C14H14O3
MW:230.259164333344
CID:221357
PubChem ID:442699
Update Time:2025-04-19

1,3-Benzenediol,5-[2-(2-hydroxyphenyl)ethyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol,5-[2-(2-hydroxyphenyl)ethyl]-
    • 5-[2-(2-hydroxyphenyl)ethyl]benzene-1,3-diol
    • BDBM64584
    • DTXSID70331914
    • CHEMBL474628
    • 5-[2-(2-Hydroxyphenyl)ethyl]-1,3-benzenediol
    • 113276-63-4
    • Q27106370
    • SCHEMBL4740188
    • CHEBI:4395
    • 2',3,5-trihydroxybibenzyl
    • Demethylbatatasin IV
    • LMPK13090033
    • 2'',3,5-Trihydroxybibenzyl (2)
    • Inchi: 1S/C14H14O3/c15-12-7-10(8-13(16)9-12)5-6-11-3-1-2-4-14(11)17/h1-4,7-9,15-17H,5-6H2
    • InChI Key: QNLYZTMYRVYPMN-UHFFFAOYSA-N
    • SMILES: OC1C=CC=CC=1CCC1C=C(C=C(C=1)O)O

Computed Properties

  • Exact Mass: 230.09432
  • Monoisotopic Mass: 230.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 222
  • 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: 60.7?2

Experimental Properties

  • Density: 1.291
  • Boiling Point: 417.1°C at 760 mmHg
  • Flash Point: 203.6°C
  • Refractive Index: 1.661
  • PSA: 60.69
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