(4e)-1,5-Bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol
PubChem CID: 10892398
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| Compound Synonyms | (4e)-1,5-bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-5-hydroxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Is Pains | False |
| Molecular Formula | C19H22O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YGBAZUOFIQLSHX-NSCUHMNNSA-N |
| Fcsp3 | 0.2631578947368421 |
| Rotatable Bond Count | 7.0 |
| Compound Name | (4e)-1,5-Bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 314.152 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 314.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 314.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6473491565217393 |
| Inchi | InChI=1S/C19H22O4/c1-23-13-16(19(22)15-7-11-18(21)12-8-15)4-2-3-14-5-9-17(20)10-6-14/h2-3,5-12,16,19-22H,4,13H2,1H3/b3-2+ |
| Smiles | COCC(C/C=C/C1=CC=C(C=C1)O)C(C2=CC=C(C=C2)O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients