4-Prop-2-enyl-2-(3-prop-2-enylphenoxy)phenol
PubChem CID: 5318595
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-prop-2-enyl-2-(3-prop-2-enylphenoxy)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C18H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SNYVPSXUTGEODU-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.605 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.907 |
| Compound Name | 4-Prop-2-enyl-2-(3-prop-2-enylphenoxy)phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 266.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.626308 |
| Inchi | InChI=1S/C18H18O2/c1-3-6-14-8-5-9-16(12-14)20-18-13-15(7-4-2)10-11-17(18)19/h3-5,8-13,19H,1-2,6-7H2 |
| Smiles | C=CCC1=CC(=CC=C1)OC2=C(C=CC(=C2)CC=C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gentiana Tibetica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Magnolia Biloba (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients