1-(7-Hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone
PubChem CID: 11529140
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| Compound Synonyms | 1-(7-hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone, 1-(7-hydroxy-2,6-dimethylnaphthalen-1-yl)-4-methylpentan-3-one, HDNMP cpd |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 336.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(7-hydroxy-2,6-dimethylnaphthalen-1-yl)-4-methylpentan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C18H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GWIKNMRFHCFVPY-UHFFFAOYSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -4.306 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.522 |
| Compound Name | 1-(7-Hydroxy-2,6-dimethyl-1-naphthyl)-4-methyl-3-pentanone |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.457306399999999 |
| Inchi | InChI=1S/C18H22O2/c1-11(2)17(19)8-7-15-12(3)5-6-14-9-13(4)18(20)10-16(14)15/h5-6,9-11,20H,7-8H2,1-4H3 |
| Smiles | CC1=C(C2=C(C=C1)C=C(C(=C2)O)C)CCC(=O)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Securinega Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients