5-Ethenyl-1,7-dimethyl-9,10-dihydrophenanthren-2-ol
PubChem CID: 101115367
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 337.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-ethenyl-1,7-dimethyl-9,10-dihydrophenanthren-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C18H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DOVVPEXQMTVYAG-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -6.296 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.865 |
| Compound Name | 5-Ethenyl-1,7-dimethyl-9,10-dihydrophenanthren-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 250.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9371826210526315 |
| Inchi | InChI=1S/C18H18O/c1-4-13-9-11(2)10-14-5-6-15-12(3)17(19)8-7-16(15)18(13)14/h4,7-10,19H,1,5-6H2,2-3H3 |
| Smiles | CC1=CC2=C(C3=C(CC2)C(=C(C=C3)O)C)C(=C1)C=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Flavida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Salvia Staminea (Plant) Rel Props:Source_db:cmaup_ingredients