6-Hydroxy-2-(2-(4'-methoxyphenyl)ethyl)chromone
PubChem CID: 130350
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| Compound Synonyms | 6-Hmpec, 125092-36-6, 6-Hydroxy-2-(2-(4'-methoxyphenyl)ethyl)chromone, DTXSID80154636, 6-hydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one, 6-Hydroxy-2-(2-(4/'-methoxyphenyl)ethyl)chromone, CHEMBL4454964, DTXCID7077127, 6-hydroxy-2-[2-(4'-methoxyphenyl)-ethyl]-4h-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 423.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C18H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFPBCTLQWWHERC-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.8 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.207 |
| Compound Name | 6-Hydroxy-2-(2-(4'-methoxyphenyl)ethyl)chromone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5893782181818183 |
| Inchi | InChI=1S/C18H16O4/c1-21-14-6-2-12(3-7-14)4-8-15-11-17(20)16-10-13(19)5-9-18(16)22-15/h2-3,5-7,9-11,19H,4,8H2,1H3 |
| Smiles | COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients