8-Methoxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one
PubChem CID: 71391868
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| Compound Synonyms | 61828-56-6, 8-Methoxy-2-phenethyl-4H-chromen-4-one, 8-Methoxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one, 8-methoxy-2-(2-phenylethyl)-4H-chromen-4-one, 8-Methoxy-2-phenethylchromone, DTXSID20813694, Q63396544 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-2-(2-phenylethyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNQDWWWTGJNVBY-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.02 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.46 |
| Compound Name | 8-Methoxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 280.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7363121238095243 |
| Inchi | InChI=1S/C18H16O3/c1-20-17-9-5-8-15-16(19)12-14(21-18(15)17)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3 |
| Smiles | COC1=CC=CC2=C1OC(=CC2=O)CCC3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Nil (Plant) Rel Props:Source_db:cmaup_ingredients