5-Methoxy-3-methyl-2,7-bis(prop-2-enoxy)-9,10-dihydrophenanthrene
PubChem CID: 163003263
Connections displayed (default: 10).
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| Topological Polar Surface Area | 27.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-3-methyl-2,7-bis(prop-2-enoxy)-9,10-dihydrophenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C22H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BZIABAGZDXUZMF-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | -7.006 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.148 |
| Compound Name | 5-Methoxy-3-methyl-2,7-bis(prop-2-enoxy)-9,10-dihydrophenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 336.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.227372200000001 |
| Inchi | InChI=1S/C22H24O3/c1-5-9-24-18-12-17-8-7-16-13-20(25-10-6-2)15(3)11-19(16)22(17)21(14-18)23-4/h5-6,11-14H,1-2,7-10H2,3-4H3 |
| Smiles | CC1=CC2=C(CCC3=C2C(=CC(=C3)OCC=C)OC)C=C1OCC=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heynea Trijuga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypericum Prolificum (Plant) Rel Props:Source_db:cmaup_ingredients