4,7-Dihydroxy-2,3-dimethoxy phenanthrene
PubChem CID: 15060023
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| Compound Synonyms | 4,7-dihydroxy-2,3-dimethoxy phenanthrene |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxyphenanthrene-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YQCHQMQSSOKCIR-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -3.702 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.126 |
| Compound Name | 4,7-Dihydroxy-2,3-dimethoxy phenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.201260799999999 |
| Inchi | InChI=1S/C16H14O4/c1-19-13-8-10-4-3-9-7-11(17)5-6-12(9)14(10)15(18)16(13)20-2/h3-8,17-18H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients