(Z)-3-Phenylpropyl 3-phenylacrylate
PubChem CID: 6435823
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| Compound Synonyms | (Z) Phenylpropyl cinnamate, SCHEMBL1532425, LYRAHIUDQRJGGZ-YPKPFQOOSA-N, (Z)-3-Phenylpropyl 3-phenylacrylate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 297.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-phenylpropyl (Z)-3-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C18H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYRAHIUDQRJGGZ-YPKPFQOOSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.87 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.874 |
| Compound Name | (Z)-3-Phenylpropyl 3-phenylacrylate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.585508 |
| Inchi | InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13- |
| Smiles | C1=CC=C(C=C1)CCCOC(=O)/C=C\C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Styrax Benzoin (Plant) Rel Props:Source_db:cmaup_ingredients