2-[[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methyl]-6-methoxy-3-phenyl-1-benzofuran-5-ol
PubChem CID: 10029721
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL510604 |
|---|---|
| Topological Polar Surface Area | 70.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 746.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methyl]-6-methoxy-3-phenyl-1-benzofuran-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 7.6 |
| Molecular Formula | C33H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LFTCBGSFKCHMJG-JLHYYAGUSA-N |
| Fcsp3 | 0.1515151515151515 |
| Logs | -6.122 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.509 |
| Compound Name | 2-[[4,5-dimethoxy-2-[(E)-3-phenylprop-2-enoxy]phenyl]methyl]-6-methoxy-3-phenyl-1-benzofuran-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 522.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 522.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.707809092307693 |
| Inchi | InChI=1S/C33H30O6/c1-35-29-21-28-25(19-26(29)34)33(23-14-8-5-9-15-23)32(39-28)18-24-17-30(36-2)31(37-3)20-27(24)38-16-10-13-22-11-6-4-7-12-22/h4-15,17,19-21,34H,16,18H2,1-3H3/b13-10+ |
| Smiles | COC1=C(C=C(C(=C1)CC2=C(C3=CC(=C(C=C3O2)OC)O)C4=CC=CC=C4)OC/C=C/C5=CC=CC=C5)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all