Randainol
PubChem CID: 5281866
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| Compound Synonyms | Randainol, 93753-25-4, C10878, 2-[2-hydroxy-5-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-prop-2-enylphenol, AC1NQZ7F, CHEBI:8775, CHEMBL4168954, DTXSID401141500, Q27108146, 4-allyl-2-[2-hydroxy-5-[(E)-3-hydroxyprop-1-enyl]phenyl]phenol, 5-[(1E)-3-Hydroxy-1-propen-1-yl]-5a(2)-(2-propen-1-yl)[1,1a(2)-biphenyl]-2,2a(2)-diol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2-hydroxy-5-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-prop-2-enylphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C18H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OUJJWPMPNAGHRR-HWKANZROSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.421 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.294 |
| Compound Name | Randainol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 282.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.995458942857142 |
| Inchi | InChI=1S/C18H18O3/c1-2-4-13-6-8-17(20)15(11-13)16-12-14(5-3-10-19)7-9-18(16)21/h2-3,5-9,11-12,19-21H,1,4,10H2/b5-3+ |
| Smiles | C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)/C=C/CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients