3',6-Dihydroxy-2,4,4'-trimethoxybenzophenone
PubChem CID: 101763992
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL17057016, 3',6-dihydroxy-2,4,4'-trimethoxybenzophenone |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-hydroxy-4,6-dimethoxyphenyl)-(3-hydroxy-4-methoxyphenyl)methanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IXTAHZCXYKMOGJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.802 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.765 |
| Compound Name | 3',6-Dihydroxy-2,4,4'-trimethoxybenzophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 304.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.702883963636364 |
| Inchi | InChI=1S/C16H16O6/c1-20-10-7-12(18)15(14(8-10)22-3)16(19)9-4-5-13(21-2)11(17)6-9/h4-8,17-18H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C(=O)C2=C(C=C(C=C2OC)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Bellidiastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Garcinia Morella (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients