4-[(E)-3-methoxyprop-1-enyl]phenol
PubChem CID: 12362491
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL1438714, CHEMBL3901240 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-3-methoxyprop-1-enyl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C10H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IUYKIVNLDUNOSW-NSCUHMNNSA-N |
| Fcsp3 | 0.2 |
| Logs | -1.256 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.804 |
| Compound Name | 4-[(E)-3-methoxyprop-1-enyl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2018648000000005 |
| Inchi | InChI=1S/C10H12O2/c1-12-8-2-3-9-4-6-10(11)7-5-9/h2-7,11H,8H2,1H3/b3-2+ |
| Smiles | COC/C=C/C1=CC=C(C=C1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients