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2'-Hydroxyaucuparin

PubChem CID: 46879744

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Compound Synonyms 2'-hydroxyaucuparin, R67MW9TPS5, 4-(2-hydroxyphenyl)-2,6-dimethoxyphenol, 3',5'-Dimethoxy(1,1'-biphenyl)-2,4'-diol, 98211-57-5, UNII-R67MW9TPS5, (1,1'-Biphenyl)-2,4'-diol, 3',5'-dimethoxy-, CHEMBL1080486, 4,2'-Dihydroxy-3,5-dimethoxybiphenyl
Topological Polar Surface Area 58.9
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 18.0
Isotope Atom Count 0.0
Molecular Complexity 244.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 4-(2-hydroxyphenyl)-2,6-dimethoxyphenol
Prediction Hob 1.0
Xlogp 2.8
Molecular Formula C14H14O4
Prediction Swissadme 0.0
Inchi Key CBRMMSPVRYLGMR-UHFFFAOYSA-N
Fcsp3 0.1428571428571428
Logs -3.648
Rotatable Bond Count 3.0
Logd 2.773
Compound Name 2'-Hydroxyaucuparin
Prediction Hob Swissadme 0.0
Exact Mass 246.089
Formal Charge 0.0
Monoisotopic Mass 246.089
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 246.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.413557733333333
Inchi InChI=1S/C14H14O4/c1-17-12-7-9(8-13(18-2)14(12)16)10-5-3-4-6-11(10)15/h3-8,15-16H,1-2H3
Smiles COC1=CC(=CC(=C1O)OC)C2=CC=CC=C2O
Nring 2.0
Defined Bond Stereocenter Count 0.0