2'-Hydroxyaucuparin
PubChem CID: 46879744
Connections displayed (default: 10).
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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 |
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