(4R)-3-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromen-4-ol
PubChem CID: 44268644
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL13298 |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 424.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-3-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromen-4-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WCBLYLSEIFDBFU-SFHVURJKSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.015 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.489 |
| Compound Name | (4R)-3-(3,4-dimethoxyphenyl)-7-methoxy-4H-chromen-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3599763565217393 |
| Inchi | InChI=1S/C18H18O5/c1-20-12-5-6-13-16(9-12)23-10-14(18(13)19)11-4-7-15(21-2)17(8-11)22-3/h4-10,18-19H,1-3H3/t18-/m0/s1 |
| Smiles | COC1=CC2=C(C=C1)[C@@H](C(=CO2)C3=CC(=C(C=C3)OC)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Myroxylon Peruiferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all