2-(2-Methylbut-3-en-2-yl)-4-prop-2-enylphenol
PubChem CID: 25098972
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-methylbut-3-en-2-yl)-4-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | QTIAVMHJHYYHCN-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.309 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.76 |
| Compound Name | 2-(2-Methylbut-3-en-2-yl)-4-prop-2-enylphenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1880413999999995 |
| Inchi | InChI=1S/C14H18O/c1-5-7-11-8-9-13(15)12(10-11)14(3,4)6-2/h5-6,8-10,15H,1-2,7H2,3-4H3 |
| Smiles | CC(C)(C=C)C1=C(C=CC(=C1)CC=C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients