(1S)-1-hydroxy-1-(2-hydroxy-4-methylphenyl)propan-2-one
PubChem CID: 162884906
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-hydroxy-1-(2-hydroxy-4-methylphenyl)propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FOHLVJQDZBALFM-SNVBAGLBSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.448 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.962 |
| Compound Name | (1S)-1-hydroxy-1-(2-hydroxy-4-methylphenyl)propan-2-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1432970615384614 |
| Inchi | InChI=1S/C10H12O3/c1-6-3-4-8(9(12)5-6)10(13)7(2)11/h3-5,10,12-13H,1-2H3/t10-/m1/s1 |
| Smiles | CC1=CC(=C(C=C1)[C@@H](C(=O)C)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eupatorium Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients