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2-(2,4-Dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran

PubChem CID: 15953774

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Compound Synonyms 2-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran, CHEBI:65785, 4-(furo[2,3-f][1,3]benzodioxol-6-yl)-6-(3-methylbut-2-en-1-yl)benzene-1,3-diol, CHEMBL524641, DTXSID501141622, 910457-10-2, Q27134274, 4-Furo[2,3-f]-1,3-benzodioxol-6-yl-6-(3-methyl-2-buten-1-yl)-1,3-benzenediol, 4-furo[2,3-f][1,3]benzodioxol-6-yl-6-(3-methylbut-2-enyl)benzene-1,3-diol
Topological Polar Surface Area 72.1
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 502.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-furo[2,3-f][1,3]benzodioxol-6-yl-6-(3-methylbut-2-enyl)benzene-1,3-diol
Prediction Hob 1.0
Xlogp 5.0
Molecular Formula C20H18O5
Prediction Swissadme 0.0
Inchi Key SOYHFIGRYCLZKD-UHFFFAOYSA-N
Fcsp3 0.2
Logs -4.728
Rotatable Bond Count 3.0
Logd 3.6
Compound Name 2-(2,4-Dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
Prediction Hob Swissadme 0.0
Exact Mass 338.115
Formal Charge 0.0
Monoisotopic Mass 338.115
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 338.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -5.3464258
Inchi InChI=1S/C20H18O5/c1-11(2)3-4-12-5-14(16(22)8-15(12)21)18-6-13-7-19-20(24-10-23-19)9-17(13)25-18/h3,5-9,21-22H,4,10H2,1-2H3
Smiles CC(=CCC1=CC(=C(C=C1O)O)C2=CC3=CC4=C(C=C3O2)OCO4)C
Nring 4.0
Defined Bond Stereocenter Count 0.0