2-Phenetyloxy-5-pentyltetrahydrofuran
PubChem CID: 129847688
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| Compound Synonyms | 2-phenetyloxy-5-pentyltetrahydrofuran |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 27.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(CC2CCCC2)CC1 |
| Deep Smiles | CCCCCCCCCO5)Occcccc6OCC |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | C1CCC(OC2CCCO2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 257.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-ethoxyphenoxy)-5-pentyloxolane |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H26O3 |
| Scaffold Graph Node Bond Level | c1ccc(OC2CCCO2)cc1 |
| Inchi Key | QKTOMOAZHKTCIW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | 2-phenetyloxy-5-pentyltetrahydrofuran |
| Esol Class | Moderately soluble |
| Functional Groups | cOC, cOC(C)OC |
| Compound Name | 2-Phenetyloxy-5-pentyltetrahydrofuran |
| Exact Mass | 278.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 278.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H26O3/c1-3-5-6-9-14-12-13-17(19-14)20-16-11-8-7-10-15(16)18-4-2/h7-8,10-11,14,17H,3-6,9,12-13H2,1-2H3 |
| Smiles | CCCCCC1CCC(O1)OC2=CC=CC=C2OCC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Citrullus Lanatus (Plant) Rel Props:Reference:ISBN:9788172361792