5-[2-(3-Hydroxyphenyl)ethyl]-2-methoxybenzene-1,3-diol
PubChem CID: 85699751
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-[2-(3-hydroxyphenyl)ethyl]-2-methoxybenzene-1,3-diol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[2-(3-hydroxyphenyl)ethyl]-2-methoxybenzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOOBYFNNENQCSI-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.647 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.21 |
| Compound Name | 5-[2-(3-Hydroxyphenyl)ethyl]-2-methoxybenzene-1,3-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.572360221052631 |
| Inchi | InChI=1S/C15H16O4/c1-19-15-13(17)8-11(9-14(15)18)6-5-10-3-2-4-12(16)7-10/h2-4,7-9,16-18H,5-6H2,1H3 |
| Smiles | COC1=C(C=C(C=C1O)CCC2=CC(=CC=C2)O)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 Hyptis Brevipes (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Pteris Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients