7-Methoxy-9,10-dihydrophenanthrene-2,4-diol
PubChem CID: 11615663
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-9,10-dihydrophenanthrene-2,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WWIKJVHFHYAUTF-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.86 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.325 |
| Compound Name | 7-Methoxy-9,10-dihydrophenanthrene-2,4-diol |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7224321333333332 |
| Inchi | InChI=1S/C15H14O3/c1-18-12-4-5-13-9(7-12)2-3-10-6-11(16)8-14(17)15(10)13/h4-8,16-17H,2-3H2,1H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients