1-(1-Hydroxy-6,8-dimethoxy-3-methylnaphthalen-2-yl)ethan-1-one
PubChem CID: 12478854
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| Compound Synonyms | 22649-07-6, DTXSID00499798, 1-(1-Hydroxy-6,8-dimethoxy-3-methylnaphthalen-2-yl)ethan-1-one, CHEMBL3355661, DTXCID60450608, DB-372538, 1-(1-Hydroxy-6,8-dimethoxy-3-methyl-2-naphthalenyl)ethanone |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-(1-hydroxy-6,8-dimethoxy-3-methylnaphthalen-2-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FHHUIFBQMMGHQW-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -4.27 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.946 |
| Compound Name | 1-(1-Hydroxy-6,8-dimethoxy-3-methylnaphthalen-2-yl)ethan-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.762065484210526 |
| Inchi | InChI=1S/C15H16O4/c1-8-5-10-6-11(18-3)7-12(19-4)14(10)15(17)13(8)9(2)16/h5-7,17H,1-4H3 |
| Smiles | CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Botryococcus Braunii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Karwinskia Parvifolia (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Morus Mongolica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all