5-Ethenyl-1-methylphenanthrene-2,7-diol
PubChem CID: 5316810
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| Compound Synonyms | Dehydroeffusol, Dehydro Effusol, 137319-34-7, 5-ethenyl-1-methylphenanthrene-2,7-diol, CHEMBL4758989, SCHEMBL23597741, DTXSID30415709, HY-N5058, MSK177767, AKOS037515243, DA-52406, MS-23541, CS-0032228, Dehydroeffusol5-ethenyl-1-methylphenanthrene-2,7-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-1-methylphenanthrene-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C17H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GSSPKCPIRDPBQE-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -4.068 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.719 |
| Compound Name | 5-Ethenyl-1-methylphenanthrene-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 250.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.926604557894736 |
| Inchi | InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3 |
| Smiles | CC1=C(C=CC2=C1C=CC3=CC(=CC(=C32)C=C)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients