3,3'-Dihydroxy-4,5-dimethoxybibenzyl
PubChem CID: 86251456
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| Compound Synonyms | 3,3'-dihydroxy-4,5dimethoxybibenzyl, 3,3'-Dihydroxy-4,5-dimethoxybibenzyl, 90377-22-3, CHEMBL5270113, SCHEMBL18546196, DTXSID001349279, AKOS040734117, 5-[2-(3-Hydroxy-phenyl)-ethyl]-2,3-dimethoxy-phenol |
|---|---|
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(3-hydroxyphenyl)ethyl]-2,3-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXTIQENJRJOCLX-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.096 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.316 |
| Compound Name | 3,3'-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/c1-19-15-10-12(9-14(18)16(15)20-2)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3 |
| Smiles | COC1=CC(=CC(=C1OC)O)CCC2=CC(=CC=C2)O |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Centaurea Aspera (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hyptis Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Pteris Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients