6-(4-Hydroxyphenyl)-2,2-dimethylchromen-8-ol
PubChem CID: 24882248
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(4-hydroxyphenyl)-2,2-dimethylchromen-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C17H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCGFYOXYYBRBLH-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.271 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.985 |
| Compound Name | 6-(4-Hydroxyphenyl)-2,2-dimethylchromen-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 268.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2503344 |
| Inchi | InChI=1S/C17H16O3/c1-17(2)8-7-12-9-13(10-15(19)16(12)20-17)11-3-5-14(18)6-4-11/h3-10,18-19H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)C3=CC=C(C=C3)O)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Salsa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Neomeris Annulata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Piper Wightii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Trifolium Resupinatum (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Source_db:cmaup_ingredients