6-methoxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID: 10921623
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| Compound Synonyms | CHEMBL480984 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 249.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.7 |
| Molecular Formula | C13H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JUSSIJFTWFUOLF-UHFFFAOYSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -4.86 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.261 |
| Compound Name | 6-methoxy-4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 204.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0311678 |
| Inchi | InChI=1S/C13H16O2/c1-8-4-5-12(14)11-6-9(2)13(15-3)7-10(8)11/h6-8H,4-5H2,1-3H3 |
| Smiles | CC1CCC(=O)C2=C1C=C(C(=C2)C)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Constricta (Plant) Rel Props:Source_db:cmaup_ingredients