1-Methoxy-4,7-dimethyl-2-propan-2-ylnaphthalene
PubChem CID: 85866488
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| Compound Synonyms | CHEMBL3742104 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 248.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4,7-dimethyl-2-propan-2-ylnaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C16H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VGVIMJDJAUQYDX-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -6.194 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.573 |
| Compound Name | 1-Methoxy-4,7-dimethyl-2-propan-2-ylnaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 228.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.708971117647058 |
| Inchi | InChI=1S/C16H20O/c1-10(2)14-9-12(4)13-7-6-11(3)8-15(13)16(14)17-5/h6-10H,1-5H3 |
| Smiles | CC1=CC2=C(C=C1)C(=CC(=C2OC)C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Heterotheca Inuloides (Plant) Rel Props:Source_db:cmaup_ingredients