2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran
PubChem CID: 53483951
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| Compound Synonyms | CHEMBL2147422, CHEBI:69252, 2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran, DTXSID801253246, BDBM50391887, 4-[5-(1E)-1-Propen-1-yl-2-benzofuranyl]phenol, Q27137591, 4-{5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol, 109194-69-6 |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05979, P79208, P09917, O14684 |
| Iupac Name | 4-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol |
| Prediction Hob | 1.0 |
| Target Id | NPT956 |
| Xlogp | 4.6 |
| Molecular Formula | C17H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OAMUEWCGJSSPRS-NSCUHMNNSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -4.482 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.456 |
| Compound Name | 2-(4-hydroxyphenyl)-5-(E)-propenylbenzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 250.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.76725192631579 |
| Inchi | InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3/b3-2+ |
| Smiles | C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alsomitra Graciliflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Baliospermum Axillare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Caiophora Coronata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Krameria Lappacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Limnophila Rugosa (Plant) Rel Props:Source_db:npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Nepeta Erecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Skimmia Wallichii (Plant) Rel Props:Source_db:npass_chem_all