2-Benzylfuran
PubChem CID: 12200729
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| Compound Synonyms | 2-benzylfuran, 37542-92-0, benzylfuran, SCHEMBL596315, AKOS040806422, HS-7448 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 13.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCC2)CC1 |
| Np Classifier Class | Furans |
| Deep Smiles | cccccc6))Ccccco5 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCC(CC2CCCO2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-benzylfuran |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H10O |
| Scaffold Graph Node Bond Level | c1ccc(Cc2ccco2)cc1 |
| Inchi Key | MLRBNIXMTWSDJU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-benzylfuran |
| Esol Class | Soluble |
| Functional Groups | coc |
| Compound Name | 2-Benzylfuran |
| Exact Mass | 158.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H10O/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-8H,9H2 |
| Smiles | C1=CC=C(C=C1)CC2=CC=CO2 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100408