(4e)-1,5-Bis(4-hydroxyphenyl)-2-(hydroxymethyl)-4-penten-1-ol
PubChem CID: 11141112
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| Compound Synonyms | (4e)-1,5-bis(4-hydroxyphenyl)-2-(hydroxymethyl)-4-penten-1-ol |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | HPWAVLBKHKUIQJ-OWOJBTEDSA-N |
| Fcsp3 | 0.2222222222222222 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | (4e)-1,5-Bis(4-hydroxyphenyl)-2-(hydroxymethyl)-4-penten-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.136 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 300.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]propane-1,3-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Prediction Hob | 1.0 |
| Esol | -3.3037311636363635 |
| Inchi | InChI=1S/C18H20O4/c19-12-15(18(22)14-6-10-17(21)11-7-14)3-1-2-13-4-8-16(20)9-5-13/h1-2,4-11,15,18-22H,3,12H2/b2-1+ |
| Smiles | C1=CC(=CC=C1/C=C/CC(CO)C(C2=CC=C(C=C2)O)O)O |
| Xlogp | 2.5 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C18H20O4 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients