[2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
PubChem CID: 145981772
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| Compound Synonyms | CHEMBL4281716 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C20H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VYHLYJHFTZBZOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -5.496 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.585 |
| Compound Name | [2-(2-Hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.882724356521739 |
| Inchi | InChI=1S/C20H20O3/c1-4-6-15-8-10-19(22)17(12-15)18-13-16(7-5-2)9-11-20(18)23-14(3)21/h4-5,8-13,22H,1-2,6-7H2,3H3 |
| Smiles | CC(=O)OC1=C(C=C(C=C1)CC=C)C2=C(C=CC(=C2)CC=C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients