3,2'-Dihydroxy-4,5-dimethoxybibenzyl
PubChem CID: 10754781
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| Compound Synonyms | 3,2'-Dihydroxy-4,5-dimethoxybibenzyl, 5-[2-(2-hydroxyphenyl)ethyl]-2,3-dimethoxy-phenol, CHEMBL3745964, BDBM246491, AKOS040763212, 212116-72-8, 2,3'-di-hydroxy-4',5'-dimethoxybibenzyl, 3,4-Dimethoxy-2',5-dihydroxybibenzyl (9) |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 284.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(2-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UKTGWJQYLXXLOG-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.983 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.308 |
| Compound Name | 3,2'-Dihydroxy-4,5-dimethoxybibenzyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7778592 |
| Inchi | InChI=1S/C16H18O4/c1-19-15-10-11(9-14(18)16(15)20-2)7-8-12-5-3-4-6-13(12)17/h3-6,9-10,17-18H,7-8H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1OC)O)CCC2=CC=CC=C2O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Heterotropoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Centaurea Aspera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Empetrum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Hyptis Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Pteris Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all