(E)-3-(2,6-dimethylphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
PubChem CID: 118725713
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| Compound Synonyms | CHEMBL3393848 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 410.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2,6-dimethylphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PKVKHGBOZBRSTN-CMDGGOBGSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.13 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.629 |
| Compound Name | (E)-3-(2,6-dimethylphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.705549956521739 |
| Inchi | InChI=1S/C19H20O4/c1-12-6-5-7-13(2)15(12)8-9-16(20)19-17(21)10-14(22-3)11-18(19)23-4/h5-11,21H,1-4H3/b9-8+ |
| Smiles | CC1=C(C(=CC=C1)C)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piper Methysticum (Plant) Rel Props:Source_db:cmaup_ingredients