4'-[3-Methyl-1(e)-butenyl]-(e)-2,3',4,5'-stilbenetetrol
PubChem CID: 10267519
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| Compound Synonyms | 4'-[3-methyl-1(e)-butenyl]-(e)-2,3',4,5'-stilbenetetrol |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C19H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NPYMLYGXYRKLPN-JPXXCTSLSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -3.549 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.153 |
| Compound Name | 4'-[3-Methyl-1(e)-butenyl]-(e)-2,3',4,5'-stilbenetetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 312.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.758949956521739 |
| Inchi | InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-12,20-23H,1-2H3/b5-4+,8-3+ |
| Smiles | CC(C)/C=C/C1=C(C=C(C=C1O)/C=C/C2=C(C=C(C=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caesalpinia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euonymus Mupinensis (Plant) Rel Props:Source_db:cmaup_ingredients