2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol
PubChem CID: 12888722
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Batatasin V, 65817-45-0, 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, Phenol, 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-, Batatasin-V, Batatasin V (10), SCHEMBL8703845, CHEMBL3747112, CCENYSCLQOJNIC-UHFFFAOYSA-N, BDBM246492, EX-A6750, 2-(3,4,5-Trimethoxyphenethyl)phenol, AKOS040734572, FS-8403, DA-61499 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 283.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CCENYSCLQOJNIC-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.445 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.339 |
| Compound Name | 2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 288.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.985583742857143 |
| Inchi | InChI=1S/C17H20O4/c1-19-15-10-12(11-16(20-2)17(15)21-3)8-9-13-6-4-5-7-14(13)18/h4-7,10-11,18H,8-9H2,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)CCC2=CC=CC=C2O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Polystachya (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aphanamixis Polystachya (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Alata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Dioscorea Althaeoides (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dioscorea Belophylla (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dioscorea Bulbifera (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dioscorea Cirrhosa (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Dioscorea Collettii (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dioscorea Communis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dioscorea Composita (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Dioscorea Deltoidea (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Dioscorea Dumetorum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Dioscorea Esculanta (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Dioscorea Floribunda (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Dioscorea Futschauensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Dioscorea Glabra (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Dioscorea Gracillima (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Dioscorea Hamiltonii (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Dioscorea Hispida (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Dioscorea Japonica (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Dioscorea Nipponica (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Dioscorea Olfersiana (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Dioscorea Oppositifolia (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Dioscorea Panthaica (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Dioscorea Parviflora (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Dioscorea Pentaphylla (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Dioscorea Polystachya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 29. Outgoing r'ship
FOUND_INto/from Dioscorea Prazeri (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Dioscorea Puber (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Dioscorea Purpurea (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Dioscorea Rotundata (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Dioscorea Sativa (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Dioscorea Septemloba (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Dioscorea Spongiosa (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Dioscorea Tenuipes (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Dioscorea Tokoro (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Dioscorea Tomentosa (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Dioscorea Villosa (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Dioscorea Wallichi (Plant) Rel Props:Reference: - 41. Outgoing r'ship
FOUND_INto/from Dioscorea Wallichii (Plant) Rel Props:Reference: - 42. Outgoing r'ship
FOUND_INto/from Dioscorea Zingiberensis (Plant) Rel Props:Reference: - 43. Outgoing r'ship
FOUND_INto/from Empetrum Nigrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 44. Outgoing r'ship
FOUND_INto/from Entada Polystachya (Plant) Rel Props:Reference: - 45. Outgoing r'ship
FOUND_INto/from Limnophila Polystachya (Plant) Rel Props:Reference: - 46. Outgoing r'ship
FOUND_INto/from Persicaria Polystachya (Plant) Rel Props:Reference: - 47. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference: - 48. Outgoing r'ship
FOUND_INto/from Pleurostylia Opposita (Plant) Rel Props:Reference: - 49. Outgoing r'ship
FOUND_INto/from Ribes Nigrum (Plant) Rel Props:Reference: - 50. Outgoing r'ship
FOUND_INto/from Salvia Polystachya (Plant) Rel Props:Reference: - 51. Outgoing r'ship
FOUND_INto/from Solanum Nigrum (Plant) Rel Props:Reference: - 52. Outgoing r'ship
FOUND_INto/from Veratrum Nigrum (Plant) Rel Props:Reference: