4',6-Dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
PubChem CID: 5316298
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| Compound Synonyms | 4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | DNLNYCCHXAULQA-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Compound Name | 4',6-Dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.1982344 |
| Inchi | InChI=1S/C17H16O3/c1-10-8-17(19-9-10)14-7-6-12-11(2)4-3-5-13(12)15(14)16(18)20-17/h3-7,10H,8-9H2,1-2H3 |
| Smiles | CC1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1 |
| Xlogp | 3.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H16O3 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients