6-(2-Hydroxyphenyl)-4-methoxy-2-pyrone
PubChem CID: 44435547
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| Compound Synonyms | CHEMBL396862, 6-(2-hydroxyphenyl)-4-methoxy-2-pyrone |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2-hydroxyphenyl)-4-methoxypyran-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Is Pains | False |
| Molecular Formula | C12H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUNJTUFBEHVWPN-UHFFFAOYSA-N |
| Fcsp3 | 0.0833333333333333 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 6-(2-Hydroxyphenyl)-4-methoxy-2-pyrone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.058 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 218.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0740895999999998 |
| Inchi | InChI=1S/C12H10O4/c1-15-8-6-11(16-12(14)7-8)9-4-2-3-5-10(9)13/h2-7,13H,1H3 |
| Smiles | COC1=CC(=O)OC(=C1)C2=CC=CC=C2O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients