(4e)-1,5-Bis(4-hydroxyphenyl)-1-ethoxy-2-(methoxymethyl)-4-pentene
PubChem CID: 11089156
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| Compound Synonyms | (4e)-1,5-bis(4-hydroxyphenyl)-1-ethoxy-2-(methoxymethyl)-4-pentene |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 368.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(E)-5-ethoxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-enyl]phenol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Is Pains | False |
| Molecular Formula | C21H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYQQRPCWFXPSTN-SNAWJCMRSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 9.0 |
| Compound Name | (4e)-1,5-Bis(4-hydroxyphenyl)-1-ethoxy-2-(methoxymethyl)-4-pentene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.183 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 342.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 342.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.225397 |
| Inchi | InChI=1S/C21H26O4/c1-3-25-21(17-9-13-20(23)14-10-17)18(15-24-2)6-4-5-16-7-11-19(22)12-8-16/h4-5,7-14,18,21-23H,3,6,15H2,1-2H3/b5-4+ |
| Smiles | CCOC(C1=CC=C(C=C1)O)C(C/C=C/C2=CC=C(C=C2)O)COC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients