1-(6-Methoxy-1-naphthyl)ethan-1-one
PubChem CID: 93967
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| Compound Synonyms | 58149-89-6, 1-(6-methoxynaphthalen-1-yl)ethanone, 1-(6-Methoxy-1-naphthyl)ethan-1-one, 48MK5PP3PT, 1-(6-METHOXYNAPHTHALEN-1-YL)ETHAN-1-ONE, Ethanone, 1-(6-methoxy-1-naphthalenyl)-, EINECS 261-142-9, UNII-48MK5PP3PT, 6-Methoxy-1-acetonaphthone, 1-Acetyl-6-methoxynaphthalene, SCHEMBL9747620, DTXSID40206887, 1-(6-Methoxy-1-naphthyl)ethanone #, DB-290847, NS00033874, 1-(6-METHOXY-1-NAPHTHALENYL)ETHANONE |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(6-methoxynaphthalen-1-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C13H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WMGUVQVDQWMMBL-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.633 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.98 |
| Compound Name | 1-(6-Methoxy-1-naphthyl)ethan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2257027333333332 |
| Inchi | InChI=1S/C13H12O2/c1-9(14)12-5-3-4-10-8-11(15-2)6-7-13(10)12/h3-8H,1-2H3 |
| Smiles | CC(=O)C1=CC=CC2=C1C=CC(=C2)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients