(E)-3-(2-ethylphenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
PubChem CID: 118725714
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| Compound Synonyms | CHEMBL3393849 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2-ethylphenyl)-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 | SHBKUTIKTMLUGQ-MDZDMXLPSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -5.801 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.779 |
| Compound Name | (E)-3-(2-ethylphenyl)-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 | -4.683649956521739 |
| Inchi | InChI=1S/C19H20O4/c1-4-13-7-5-6-8-14(13)9-10-16(20)19-17(21)11-15(22-2)12-18(19)23-3/h5-12,21H,4H2,1-3H3/b10-9+ |
| Smiles | CCC1=CC=CC=C1/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