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4''-Dehydro-3-hydroxyterphenyllin

PubChem CID: 53262867

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Compound Synonyms CHEBI:67529, 4''-dehydro-3-hydroxyterphenyllin, CHEMBL1795347, 4''-deoxy-3-hydroxyterphenyllin, DTXSID101224121, Q27135998, 3',6'-Dimethoxy-1,1':4',1''-terphenyl-2',3,4-triol, 3a(2),6a(2)-Dimethoxy[1,1a(2):4a(2),1a(2)a(2)-terphenyl]-2a(2),3,4-triol, 1296205-84-9
Topological Polar Surface Area 79.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 25.0
Isotope Atom Count 0.0
Molecular Complexity 411.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-(2-hydroxy-3,6-dimethoxy-4-phenylphenyl)benzene-1,2-diol
Prediction Hob 1.0
Xlogp 4.1
Molecular Formula C20H18O5
Prediction Swissadme 0.0
Inchi Key QVPSTGJFYRHFSU-UHFFFAOYSA-N
Fcsp3 0.1
Logs -3.962
Rotatable Bond Count 4.0
Logd 3.242
Compound Name 4''-Dehydro-3-hydroxyterphenyllin
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 -4.758125799999999
Inchi InChI=1S/C20H18O5/c1-24-17-11-14(12-6-4-3-5-7-12)20(25-2)19(23)18(17)13-8-9-15(21)16(22)10-13/h3-11,21-23H,1-2H3
Smiles COC1=C(C(=C(C(=C1)C2=CC=CC=C2)OC)O)C3=CC(=C(C=C3)O)O
Nring 3.0
Defined Bond Stereocenter Count 0.0