4-[7-methoxy-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
PubChem CID: 14352595
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| Topological Polar Surface Area | 42.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[7-methoxy-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C18H16O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKFOKMFTSLBPAJ-ONEGZZNKSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.818 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.707 |
| Compound Name | 4-[7-methoxy-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 280.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.812874028571429 |
| Inchi | InChI=1S/C18H16O3/c1-3-4-12-9-14-11-16(13-5-7-15(19)8-6-13)21-18(14)17(10-12)20-2/h3-11,19H,1-2H3/b4-3+ |
| Smiles | C/C=C/C1=CC2=C(C(=C1)OC)OC(=C2)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