(2-Methyl-5-prop-1-en-2-ylphenyl) acetate
PubChem CID: 5316696
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-methyl-5-prop-1-en-2-ylphenyl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C12H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEMDMEFENONBQG-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.006 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.071 |
| Compound Name | (2-Methyl-5-prop-1-en-2-ylphenyl) acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 190.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 190.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.179843257142857 |
| Inchi | InChI=1S/C12H14O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-7H,1H2,2-4H3 |
| Smiles | CC1=C(C=C(C=C1)C(=C)C)OC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients