2-Benzyl-5,7-dimethoxychromen-4-one
PubChem CID: 10902532
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| Compound Synonyms | CHEMBL448214 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-benzyl-5,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NIZKWTZIDYBYTA-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.479 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.314 |
| Compound Name | 2-Benzyl-5,7-dimethoxychromen-4-one |
| 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 | -3.608278218181818 |
| Inchi | InChI=1S/C18H16O4/c1-20-13-10-16(21-2)18-15(19)9-14(22-17(18)11-13)8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3 |
| Smiles | COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)CC3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baeckea Frutescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all