5-(1-Methoxyethyl)-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol
PubChem CID: 5319432
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| Topological Polar Surface Area | 49.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(1-methoxyethyl)-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QJSIPUGXYKUMHM-UHFFFAOYSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -4.411 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.903 |
| Compound Name | 5-(1-Methoxyethyl)-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.424904763636364 |
| Inchi | InChI=1S/C19H22O3/c1-10-9-13-5-6-14-11(2)16(20)8-7-15(14)18(13)17(19(10)21)12(3)22-4/h7-9,12,20-21H,5-6H2,1-4H3 |
| Smiles | CC1=CC2=C(C3=C(CC2)C(=C(C=C3)O)C)C(=C1O)C(C)OC |
| 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