(Z)-Cinnamyl benzoate
PubChem CID: 5315914
Connections displayed (default: 10).
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| Compound Synonyms | (Z)-Cinnamyl benzoate, (Z)-3-phenylallyl benzoate, UARVBDPGNUHYQT-YFHOEESVSA-N, 2-Propen-1-ol, 3-phenyl-, benzoate,, 2-Propen-1-ol, 3-phenyl-, benzoate, (Z)- |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-3-phenylprop-2-enyl] benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C16H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UARVBDPGNUHYQT-YFHOEESVSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.406 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.975 |
| Compound Name | (Z)-Cinnamyl benzoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.385006533333333 |
| Inchi | InChI=1S/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7- |
| Smiles | C1=CC=C(C=C1)/C=C\COC(=O)C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Styrax Tonkinensis (Plant) Rel Props:Source_db:cmaup_ingredients