2-(4-hydroxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran-3-carbaldehyde
PubChem CID: 14213216
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| Topological Polar Surface Area | 50.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C18H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ARTAZCYFMYXCAG-NSCUHMNNSA-N |
| Fcsp3 | 0.0555555555555555 |
| Logs | -4.132 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.349 |
| Compound Name | 2-(4-hydroxyphenyl)-5-[(E)-prop-1-enyl]-1-benzofuran-3-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 278.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.479074828571428 |
| Inchi | InChI=1S/C18H14O3/c1-2-3-12-4-9-17-15(10-12)16(11-19)18(21-17)13-5-7-14(20)8-6-13/h2-11,20H,1H3/b3-2+ |
| Smiles | C/C=C/C1=CC2=C(C=C1)OC(=C2C=O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients