Cas no 136051-64-4 (Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)-)

Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)- structure
136051-64-4 structure
Product Name:Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)-
CAS No:136051-64-4
MF:C14H12O4
MW:244.242684364319
CID:199730
PubChem ID:126216
Update Time:2025-04-19

Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)- Chemical and Physical Properties

Names and Identifiers

    • Phenol,3-(7-methoxy-1,3-benzodioxol-5-yl)-
    • 3-(7-methoxy-1,3-benzodioxol-5-yl)phenol
    • 3'-Hydroxy-5-methoxy-3,4-methylenedioxybiphenyl
    • 3'-Hmmdb
    • 136051-64-4
    • Phenol, 3-(7-methoxy-1,3-benzodioxol-5-yl)-
    • DTXSID10159639
    • 3/'-Hydroxy-5-methoxy-3,4-methylenedioxybiphenyl
    • 3'-Hydroxy-3-methoxy-4,5-methylenedioxybiphenyl
    • NCGC00385846-01
    • 3-(7-Methoxybenzo[d][1,3]dioxol-5-yl)phenol
    • Inchi: 1S/C14H12O4/c1-16-12-6-10(7-13-14(12)18-8-17-13)9-3-2-4-11(15)5-9/h2-7,15H,8H2,1H3
    • InChI Key: RZEQCWOSRBVTLN-UHFFFAOYSA-N
    • SMILES: O1COC2C(=CC(C3C=CC=C(C=3)O)=CC1=2)OC

Computed Properties

  • Exact Mass: 244.07356
  • Monoisotopic Mass: 244.07355886g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 283
  • 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
  • Topological Polar Surface Area: 47.9?2

Experimental Properties

  • PSA: 47.92
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