6-Hydroxy-2-(2-hydroxy-2-phenylethyl)chromone
PubChem CID: 12017313
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-hydroxy-2-(2-hydroxy-2-phenylethyl)chromone |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-(2-hydroxy-2-phenylethyl)chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Is Pains | False |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SDASTLHZVRJVGO-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 6-Hydroxy-2-(2-hydroxy-2-phenylethyl)chromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9073385238095235 |
| Inchi | InChI=1S/C17H14O4/c18-12-6-7-17-14(8-12)16(20)10-13(21-17)9-15(19)11-4-2-1-3-5-11/h1-8,10,15,18-19H,9H2 |
| Smiles | C1=CC=C(C=C1)C(CC2=CC(=O)C3=C(O2)C=CC(=C3)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients