(2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
PubChem CID: 162935998
Connections displayed (default: 10).
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| Topological Polar Surface Area | 76.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPDJVOZWLIGFKY-SNVBAGLBSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.959 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.681 |
| Compound Name | (2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6780575636363637 |
| Inchi | InChI=1S/C17H18O5/c1-10(11-4-6-13(18)15(8-11)21-2)17(20)12-5-7-14(19)16(9-12)22-3/h4-10,18-19H,1-3H3/t10-/m1/s1 |
| Smiles | C[C@H](C1=CC(=C(C=C1)O)OC)C(=O)C2=CC(=C(C=C2)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