2-(3,4-Dimethoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one
PubChem CID: 5320355
Connections displayed (default: 10).
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| Topological Polar Surface Area | 67.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JZASYWWZBYHRIJ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -5.218 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.026 |
| Compound Name | 2-(3,4-Dimethoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 352.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.273189630769231 |
| Inchi | InChI=1S/C20H16O6/c1-22-15-6-4-11(10-16(15)23-2)18-20(24-3)17(21)13-5-7-14-12(8-9-25-14)19(13)26-18/h4-10H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Millettia Pachycarpa (Plant) Rel Props:Source_db:cmaup_ingredients