[(E)-4-phenylmethoxybut-2-enoxy]methylbenzene
Formula:C18H20O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-4-phenylmethoxybut-2-enoxy]methylbenzene is a drug-like molecule.
| MolName | [(E)-4-phenylmethoxybut-2-enoxy]methylbenzene |
| MolecularFormula | C18H20O2 |
| Smiles | C(/C=C/COCc1ccccc1)OCc1ccccc1 |
| InChI | InChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2 |
| InChIK | SHOJWWNYFPQUHH-UHFFFAOYSA-N |
| TotalMolweight | 268.355 |
| Molweight | 268.355 |
| MonoisotopicMass | 268.14633 |
| CLogP | 3.4724 |
| CLogS | -3.184 |
| H Acceptors | 2 |
| TotalSurfaceArea | 234.56 |
| Relative PSA | 0.085266 |
| PolarSurfaceArea | 18.46 |
| Druglikeness | -3.5451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 12 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-4-phenylmethoxybut-2-enoxy]methylbenzene | 2 - [(E)-4-phenylmethoxybut-2-enoxy]methylbenzene
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off