4-Methoxy-9,10-dihydrophenanthrene-1,2,7-triol
PubChem CID: 11615846
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| Compound Synonyms | 4-methoxy-9,10-dihydrophenanthrene-1,2,7-triol, 4-MDP cpd |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methoxy-9,10-dihydrophenanthrene-1,2,7-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GZUMFRSXHNRUNO-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.276 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.563 |
| Compound Name | 4-Methoxy-9,10-dihydrophenanthrene-1,2,7-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5751610210526317 |
| Inchi | InChI=1S/C15H14O4/c1-19-13-7-12(17)15(18)11-4-2-8-6-9(16)3-5-10(8)14(11)13/h3,5-7,16-18H,2,4H2,1H3 |
| Smiles | COC1=C2C(=C(C(=C1)O)O)CCC3=C2C=CC(=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients