(E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-phenylprop-2-en-1-one
Formula:C22H18O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-phenylprop-2-en-1-one |
| MolecularFormula | C22H18O3 |
| Smiles | Oc(cc(cc1)OCc2ccccc2)c1C(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C22H18O3/c23-21(14-11-17-7-3-1-4-8-17)20-13-12-19(15-22(20)24)25-16-18-9-5-2-6-10-18/h1-15,24H,16H2 |
| InChIK | KPEOHUHJHWKEQL-UHFFFAOYSA-N |
| TotalMolweight | 330.382 |
| Molweight | 330.382 |
| MonoisotopicMass | 330.125595 |
| CLogP | 4.3062 |
| CLogS | -4.885 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 267.14 |
| Relative PSA | 0.13528 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -0.090423 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-phenylprop-2-en-1-one | 2 - (E)-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-phenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off