2,3-dimethoxy-6-(7-methoxy-4H-chromen-3-yl)phenol
PubChem CID: 5318605
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| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethoxy-6-(7-methoxy-4H-chromen-3-yl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | POUQOQOXMNNBBR-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.571 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.353 |
| Compound Name | 2,3-dimethoxy-6-(7-methoxy-4H-chromen-3-yl)phenol |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.83877635652174 |
| Inchi | InChI=1S/C18H18O5/c1-20-13-5-4-11-8-12(10-23-16(11)9-13)14-6-7-15(21-2)18(22-3)17(14)19/h4-7,9-10,19H,8H2,1-3H3 |
| Smiles | COC1=CC2=C(CC(=CO2)C3=C(C(=C(C=C3)OC)OC)O)C=C1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Callerya Cinerea (Plant) Rel Props:Source_db:cmaup_ingredients