2-Ethyl-5-methylfuran
PubChem CID: 74346
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| Compound Synonyms | 2-Ethyl-5-methylfuran, 1703-52-2, Furan, 2-ethyl-5-methyl-, 2-Methyl-5-ethylfuran, 2-ethyl-5-methyl furan, 2-Ethyl-5-methyl-furan, PG4BLD3EJI, EINECS 216-937-5, UNII-PG4BLD3EJI, 5-METHYL-2-ETHYLFURAN, CHEBI:88617, DTXSID80168839, furan, 2-methyl, 5-ethyl, SCHEMBL144611, 1-ETHYL-5-METHYLFURAN, DTXCID2091330, MFCD00053126, AKOS006228280, SB61677, AS-57447, CS-0333891, NS00021742, A12137, Q27160507, 216-937-5 |
|---|---|
| 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 | CCcccco5)C |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Heteroaromatic compounds |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.8 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-5-methylfuran |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H10O |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | NBXLPPVOZWYADY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-Ethyl-5-methyl-furan, 2-Methyl-5-ethylfuran, Furan, 2-methyl, 5-ethyl, 2-ethyl-5-methylfuran, 2-methyl-5-ethylfuran |
| Esol Class | Soluble |
| Functional Groups | coc |
| Compound Name | 2-Ethyl-5-methylfuran |
| 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/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3 |
| Smiles | CCC1=CC=C(O1)C |
| 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 Boswellia Sacra (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700833 - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698692