(4-Hydroxy-5-methyl-2-propan-2-ylphenyl) 3-phenylpropanoate
PubChem CID: 14287132
Connections displayed (default: 10).
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| Topological Polar Surface Area | 46.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-hydroxy-5-methyl-2-propan-2-ylphenyl) 3-phenylpropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CFSZOYZFLPKSRQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -2.891 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.583 |
| Compound Name | (4-Hydroxy-5-methyl-2-propan-2-ylphenyl) 3-phenylpropanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.658604763636363 |
| Inchi | InChI=1S/C19H22O3/c1-13(2)16-12-17(20)14(3)11-18(16)22-19(21)10-9-15-7-5-4-6-8-15/h4-8,11-13,20H,9-10H2,1-3H3 |
| Smiles | CC1=CC(=C(C=C1O)C(C)C)OC(=O)CCC2=CC=CC=C2 |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Zawadskii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Source_db:cmaup_ingredients