1-[2,4-Dihydroxy-6-methoxy-3,5-bis(3-methyl-2-butenyl)phenyl]ethanone
PubChem CID: 14282777
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| Compound Synonyms | 1-[2,4-dihydroxy-6-methoxy-3,5-bis(3-methyl-2-butenyl)phenyl]ethanone |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[2,4-dihydroxy-6-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C19H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XRXYLECRPIOJBW-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -3.925 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.07 |
| Compound Name | 1-[2,4-Dihydroxy-6-methoxy-3,5-bis(3-methyl-2-butenyl)phenyl]ethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 318.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.931304078260869 |
| Inchi | InChI=1S/C19H26O4/c1-11(2)7-9-14-17(21)15(10-8-12(3)4)19(23-6)16(13(5)20)18(14)22/h7-8,21-22H,9-10H2,1-6H3 |
| Smiles | CC(=CCC1=C(C(=C(C(=C1O)C(=O)C)OC)CC=C(C)C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acronychia Pedunculata (Plant) Rel Props:Source_db:cmaup_ingredients