3-(3,4-dihydro-2H-chromen-3-yl)-3,4-dihydro-2H-chromene
PubChem CID: 101245403
Connections displayed (default: 10).
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| Topological Polar Surface Area | 18.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(3,4-dihydro-2H-chromen-3-yl)-3,4-dihydro-2H-chromene |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C18H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UZTAUYULOKFHMC-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -5.151 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.006 |
| Compound Name | 3-(3,4-dihydro-2H-chromen-3-yl)-3,4-dihydro-2H-chromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.477508 |
| Inchi | InChI=1S/C18H18O2/c1-3-7-17-13(5-1)9-15(11-19-17)16-10-14-6-2-4-8-18(14)20-12-16/h1-8,15-16H,9-12H2 |
| Smiles | C1C(COC2=CC=CC=C21)C3CC4=CC=CC=C4OC3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients