(2R)-1,2-bis(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one
PubChem CID: 162969115
Connections displayed (default: 10).
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| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1,2-bis(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C19H22O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YQGZZYIKOLQXAZ-SNVBAGLBSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.819 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.405 |
| Compound Name | (2R)-1,2-bis(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 362.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.137 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 362.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8247820615384622 |
| Inchi | InChI=1S/C19H22O7/c1-10(11-6-13(23-2)18(21)14(7-11)24-3)17(20)12-8-15(25-4)19(22)16(9-12)26-5/h6-10,21-22H,1-5H3/t10-/m1/s1 |
| Smiles | C[C@H](C1=CC(=C(C(=C1)OC)O)OC)C(=O)C2=CC(=C(C(=C2)OC)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Saxatilis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Latazi (Plant) Rel Props:Source_db:cmaup_ingredients