(E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol
PubChem CID: 10398415
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C14H16O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RLSWRLLRQWYLRF-ONEGZZNKSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.407 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.211 |
| Compound Name | (E)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 216.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 216.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.2605359999999997 |
| Inchi | InChI=1S/C14H16O2/c1-14(2)8-7-12-10-11(4-3-9-15)5-6-13(12)16-14/h3-8,10,15H,9H2,1-2H3/b4-3+ |
| Smiles | CC1(C=CC2=C(O1)C=CC(=C2)/C=C/CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Scabrida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nymphaea Caerulea (Plant) Rel Props:Source_db:cmaup_ingredients