(4e)-1,5-Bis(4-hydroxyphenyl)-1-[(2e)-3-(4-acetoxyphenyl)-2-propenoxy]-2-(methoxymethyl)-4-pentene
PubChem CID: 11049231
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| Compound Synonyms | (4e)-1,5-bis(4-hydroxyphenyl)-1-[(2e)-3-(4-acetoxyphenyl)-2-propenoxy]-2-(methoxymethyl)-4-pentene |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 667.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-[(E)-3-[(E)-1,5-bis(4-hydroxyphenyl)-2-(methoxymethyl)pent-4-enoxy]prop-1-enyl]phenyl] acetate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Is Pains | False |
| Molecular Formula | C30H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACVOBVMJBFNSFU-GGWOSOGESA-N |
| Fcsp3 | 0.2333333333333333 |
| Rotatable Bond Count | 13.0 |
| Compound Name | (4e)-1,5-Bis(4-hydroxyphenyl)-1-[(2e)-3-(4-acetoxyphenyl)-2-propenoxy]-2-(methoxymethyl)-4-pentene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 488.22 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 488.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 488.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.846196 |
| Inchi | InChI=1S/C30H32O6/c1-22(31)36-29-18-10-24(11-19-29)6-4-20-35-30(25-12-16-28(33)17-13-25)26(21-34-2)7-3-5-23-8-14-27(32)15-9-23/h3-6,8-19,26,30,32-33H,7,20-21H2,1-2H3/b5-3+,6-4+ |
| Smiles | CC(=O)OC1=CC=C(C=C1)/C=C/COC(C2=CC=C(C=C2)O)C(C/C=C/C3=CC=C(C=C3)O)COC |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients