(R)-1-Hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
PubChem CID: 71551256
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| Compound Synonyms | Tatarinoid B, CHEMBL4174741, LVZSTCWLAWIFNV-UHFFFAOYSA-N, (R)-1-Hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one, 2-Propanone, 1-hydroxy-1-(2,4,5-trimethoxyphenyl)-, (1R)- |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 255.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C12H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LVZSTCWLAWIFNV-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -1.594 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.01 |
| Compound Name | (R)-1-Hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 240.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8277574705882351 |
| Inchi | InChI=1S/C12H16O5/c1-7(13)12(14)8-5-10(16-3)11(17-4)6-9(8)15-2/h5-6,12,14H,1-4H3 |
| Smiles | CC(=O)C(C1=CC(=C(C=C1OC)OC)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acorus Tatarinowii (Plant) Rel Props:Source_db:cmaup_ingredients