6-Hydroxy-2-[2-(4-hydroxyphenyl) ethyl]chromone
PubChem CID: 11087237
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| Compound Synonyms | 6-hydroxy-2-[2-(4-hydroxyphenyl) ethyl]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 | 409.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZEEYITCRNXWBJA-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.551 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.968 |
| Compound Name | 6-Hydroxy-2-[2-(4-hydroxyphenyl) ethyl]chromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.386138523809523 |
| Inchi | InChI=1S/C17H14O4/c18-12-4-1-11(2-5-12)3-7-14-10-16(20)15-9-13(19)6-8-17(15)21-14/h1-2,4-6,8-10,18-19H,3,7H2 |
| Smiles | C1=CC(=CC=C1CCC2=CC(=O)C3=C(O2)C=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients