4-Allyl-2-(3-methylbut-2-en-1-yl) phenol
PubChem CID: 25098971
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| Compound Synonyms | 4-allyl-2-(3-methylbut-2-en-1-yl) phenol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-methylbut-2-enyl)-4-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZLTVIWHUNXKVML-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.288 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.702 |
| Compound Name | 4-Allyl-2-(3-methylbut-2-en-1-yl) phenol |
| 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 | -3.999041399999999 |
| Inchi | InChI=1S/C14H18O/c1-4-5-12-7-9-14(15)13(10-12)8-6-11(2)3/h4,6-7,9-10,15H,1,5,8H2,2-3H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)CC=C)O)C |
| 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