(1R)-1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione
PubChem CID: 162966735
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| Topological Polar Surface Area | 43.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 437.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTOSSAVPMIKCBC-VIFPVBQESA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.441 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.534 |
| Compound Name | (1R)-1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.201565466666666 |
| Inchi | InChI=1S/C15H14O3/c1-7-5-11-12(9(3)6-18-11)10-4-8(2)14(16)15(17)13(7)10/h4-5,9H,6H2,1-3H3/t9-/m0/s1 |
| Smiles | C[C@H]1COC2=C1C3=C(C(=C2)C)C(=O)C(=O)C(=C3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phlomis Aurea (Plant) Rel Props:Source_db:cmaup_ingredients