2-Propylfuran
PubChem CID: 77907
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| Compound Synonyms | 2-Propylfuran, 4229-91-8, 2-n-Propylfuran, Furan, 2-propyl-, 2-Propyl-Furan, Furan, .alpha.-propyl-, EINECS 224-182-8, AI3-26552, CPLJMYOQYRCCBY-UHFFFAOYSA-, DTXSID00195122, NSC 35553, NSC-35553, 2-PROPYL FURAN, 2-n-PROPYL FURAN, 2nPropylfuran, 2-propyluran, alpha-Propylfuran, Furan, 2propyl, NSC35553, MFCD00047070, Furan, alpha-propyl-, Furan, alpha -propyl-, SCHEMBL414949, 592DXD68ZG, DTXCID10117613, CHEBI:192300, AKOS025396850, LS-13293, CS-0169289, NS00022178, P1488, D92136, Q63392388, 224-182-8 |
|---|---|
| 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 | C1CCCC1 |
| Np Classifier Class | Furans |
| Deep Smiles | CCCcccco5 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Constituent of volatile components of heated peanut oil, apricot, plum and carob bean (Ceratonia siliqua). 2-Propylfuran is found in pulses, nuts, and fruits. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.4 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propylfuran |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.6 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | CPLJMYOQYRCCBY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-n-PROPYL FURAN, 2-n-Propylfuran, 2-Propyl-furan, Furan, &alpha, -propyl-, Furan, 2-propyl-, 2-N-PROPYL furan, 2-N-Propylfuran, 2-propylfuran |
| Esol Class | Soluble |
| Functional Groups | coc |
| Compound Name | 2-Propylfuran |
| Kingdom | Organic compounds |
| Exact Mass | 110.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3 |
| Smiles | CCCC1=CC=CO1 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
| Np Classifier Superclass | Cyclic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Averrhoa Bilimbi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698710 - 2. Outgoing r'ship
FOUND_INto/from Campsis Grandiflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040304 - 3. Outgoing r'ship
FOUND_INto/from Peucedanum Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700128 - 4. Outgoing r'ship
FOUND_INto/from Santolina Chamaecyparissus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1991.9697907 - 5. Outgoing r'ship
FOUND_INto/from Taxus Wallichiana (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644112