2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone
PubChem CID: 42607714
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone, 1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one, LMPK12120557, 54299-22-8 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZFPYTZZSXAWPH-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.916 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.758 |
| Compound Name | 2',3'-Dihydroxy-4',6'-dimethoxydihydrochalcone |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.788457563636364 |
| Inchi | InChI=1S/C17H18O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,19-20H,8-9H2,1-2H3 |
| Smiles | COC1=CC(=C(C(=C1C(=O)CCC2=CC=CC=C2)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uvaria Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients