2-Benzyl-5-hydroxy-7-methoxychromen-4-one
PubChem CID: 11822088
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| Compound Synonyms | CHEMBL454323 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-benzyl-5-hydroxy-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OMRQCZODXFAAMH-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.634 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.216 |
| Compound Name | 2-Benzyl-5-hydroxy-7-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7515385238095234 |
| Inchi | InChI=1S/C17H14O4/c1-20-12-8-14(18)17-15(19)9-13(21-16(17)10-12)7-11-5-3-2-4-6-11/h2-6,8-10,18H,7H2,1H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=CC2=O)CC3=CC=CC=C3)O |
| 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