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Stemofuran J

PubChem CID: 11077369

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Compound Synonyms STEMOFURAN J, CHEBI:70409, 2-(3,5-dimethoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol, CHEMBL513285, 439900-92-2, Q27138748
Topological Polar Surface Area 51.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 22.0
Isotope Atom Count 0.0
Molecular Complexity 374.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(3,5-dimethoxy-2,4-dimethylphenyl)-1-benzofuran-4-ol
Prediction Hob 1.0
Xlogp 4.3
Molecular Formula C18H18O4
Prediction Swissadme 0.0
Inchi Key TZBKBAHAEDHKJP-UHFFFAOYSA-N
Fcsp3 0.2222222222222222
Logs -5.473
Rotatable Bond Count 3.0
Logd 3.715
Compound Name Stemofuran J
Prediction Hob Swissadme 0.0
Exact Mass 298.121
Formal Charge 0.0
Monoisotopic Mass 298.121
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 298.3
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.705241054545454
Inchi InChI=1S/C18H18O4/c1-10-12(8-16(20-3)11(2)18(10)21-4)17-9-13-14(19)6-5-7-15(13)22-17/h5-9,19H,1-4H3
Smiles CC1=C(C(=C(C=C1C2=CC3=C(C=CC=C3O2)O)OC)C)OC
Nring 3.0
Defined Bond Stereocenter Count 0.0