(4e)-1,5-Bis(4-hydroxyphenyl)-1-methoxy-2-(methoxymethyl)-4-pentene
PubChem CID: 10871177
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| Compound Synonyms | (4e)-1,5-bis(4-hydroxyphenyl)-1-methoxy-2-(methoxymethyl)-4-pentene |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-5-(4-hydroxyphenyl)-5-methoxy-4-(methoxymethyl)pent-1-enyl]phenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Is Pains | False |
| Molecular Formula | C20H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PYPQUQKGAGXEHZ-ONEGZZNKSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 8.0 |
| Compound Name | (4e)-1,5-Bis(4-hydroxyphenyl)-1-methoxy-2-(methoxymethyl)-4-pentene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 328.167 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 328.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 328.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9924296 |
| Inchi | InChI=1S/C20H24O4/c1-23-14-17(5-3-4-15-6-10-18(21)11-7-15)20(24-2)16-8-12-19(22)13-9-16/h3-4,6-13,17,20-22H,5,14H2,1-2H3/b4-3+ |
| Smiles | COCC(C/C=C/C1=CC=C(C=C1)O)C(C2=CC=C(C=C2)O)OC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients