(2R)-6-methoxy-1,1,7-trimethyl-3,4-dihydro-2H-phenanthren-2-ol
PubChem CID: 162942083
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 351.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-6-methoxy-1,1,7-trimethyl-3,4-dihydro-2H-phenanthren-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C18H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TZACEXPNLOIBBM-QGZVFWFLSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -6.057 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.656 |
| Compound Name | (2R)-6-methoxy-1,1,7-trimethyl-3,4-dihydro-2H-phenanthren-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 270.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6049064 |
| Inchi | InChI=1S/C18H22O2/c1-11-9-12-5-7-15-13(14(12)10-16(11)20-4)6-8-17(19)18(15,2)3/h5,7,9-10,17,19H,6,8H2,1-4H3/t17-/m1/s1 |
| Smiles | CC1=CC2=C(C=C1OC)C3=C(C=C2)C([C@@H](CC3)O)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nasturtium Officinale (Plant) Rel Props:Source_db:cmaup_ingredients