5-Hydroxy-6-methoxy-2-(2-phenylethyl)chromone
PubChem CID: 10935326
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| Compound Synonyms | CHEMBL4589496, SCHEMBL16983579, 5-hydroxy-6-methoxy-2-(2-phenylethyl)chromone |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6-methoxy-2-(2-phenylethyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C18H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NMNAEIGLYNWQDD-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.019 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.074 |
| Compound Name | 5-Hydroxy-6-methoxy-2-(2-phenylethyl)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 | -3.935878218181818 |
| Inchi | InChI=1S/C18H16O4/c1-21-16-10-9-15-17(18(16)20)14(19)11-13(22-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,20H,7-8H2,1H3 |
| Smiles | COC1=C(C2=C(C=C1)OC(=CC2=O)CCC3=CC=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