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2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran

PubChem CID: 10265117

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Compound Synonyms 67121-26-0, 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran, 2-(2,4-Dihydroxyphenyl)-5,6-methylenedioxybenzofuran (ABF), 2-(2,4-dihydroxyphenyl)-5,6-methylenedioxybenzofuran, CHEMBL524490, SCHEMBL21916054, CHEBI:196250, LMPK12160041, FS-8569, DS-022357, 4-uro[2,3-][1,3]benzodioxol-6-ylbenzene-1,3-diol, 4-{4,6,10-trioxatricyclo[7.3.0.0(3),?]dodeca-1,3(7),8,11-tetraen-11-yl}benzene-1,3-diol
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 72.1
Hydrogen Bond Donor Count 2.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC(C2CC3CC4CCCC4CC3C2)CC1
Np Classifier Class 2-arylbenzofurans
Deep Smiles Occcccc6)O))coccc5)cccc6)OCO5
Heavy Atom Count 20.0
Classyfire Class 2-arylbenzofuran flavonoids
Scaffold Graph Node Level C1CCC(C2CC3CC4OCOC4CC3O2)CC1
Isotope Atom Count 0.0
Molecular Complexity 362.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-furo[2,3-f][1,3]benzodioxol-6-ylbenzene-1,3-diol
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp 3.1
Gsk 4 400 Rule True
Molecular Formula C15H10O5
Scaffold Graph Node Bond Level c1ccc(-c2cc3cc4c(cc3o2)OCO4)cc1
Prediction Swissadme 0.0
Inchi Key UACAJEAOMACMMU-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0666666666666666
Logs -4.066
Rotatable Bond Count 1.0
Logd 3.17
Synonyms 2-(2',4'-dihydroxyphenyl)-5,6-methylenedioxybenzofuran
Esol Class Soluble
Functional Groups c1cOCO1, cO, coc
Compound Name 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
Prediction Hob Swissadme 0.0
Exact Mass 270.053
Formal Charge 0.0
Monoisotopic Mass 270.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 270.24
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.9511879999999993
Inchi InChI=1S/C15H10O5/c16-9-1-2-10(11(17)5-9)13-3-8-4-14-15(19-7-18-14)6-12(8)20-13/h1-6,16-17H,7H2
Smiles C1OC2=C(O1)C=C3C(=C2)C=C(O3)C4=C(C=C(C=C4)O)O
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Isoflavonoids

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