2-(4-methoxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran
PubChem CID: 91991396
Connections displayed (default: 10).
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| Topological Polar Surface Area | 22.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-methoxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C18H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LCFUYKXYGSJBDG-ONEGZZNKSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -6.603 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.698 |
| Compound Name | 2-(4-methoxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 264.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.966908799999999 |
| Inchi | InChI=1S/C18H16O2/c1-3-4-13-5-10-17-15(11-13)12-18(20-17)14-6-8-16(19-2)9-7-14/h3-12H,1-2H3/b4-3+ |
| Smiles | C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)OC |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Baliospermum Axillare (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Caiophora Coronata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Nepeta Erecta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Skimmia Wallichii (Plant) Rel Props:Source_db:cmaup_ingredients