Furfuryl methyl ether
PubChem CID: 61661
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| Compound Synonyms | 2-(Methoxymethyl)furan, Furfuryl methyl ether, 13679-46-4, Furan, 2-(methoxymethyl)-, 2-Furfuryl methyl ether, Methyl furfuryl ether, Furan, (methoxymethyl)-, furfurylmethylether, FEMA No. 3159, RRM754RXFN, EINECS 237-176-5, NSC 35554, NSC-35554, AI3-23506, 97970-44-0, DTXSID8065581, FURFURYL METHYL ETHER [FHFI], UNII-RRM754RXFN, MFCD02262180, 2-Methoxymethyl furan, 2-methoxymethyl-furan, 2-(methoxymethyl)uran, 2-(Methoxymethyl)-Furan, SCHEMBL872796, 2-(Methoxymethyl)furan, 9CI, SCHEMBL9239311, DTXCID2034382, SCHEMBL13088437, FEMA 3159, CHEBI:173377, NSC35554, GEO-03174, AKOS006276035, GS-0677, NS00021624, Q27288260, 237-176-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 22.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Np Classifier Class | Furans |
| Deep Smiles | COCcccco5 |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Aroma constituent of roasted coffee and roasted almonds. Flavouring agent. 2-(Methoxymethyl)furan is found in coffee and coffee products and nuts. |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 63.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(methoxymethyl)furan |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.9 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8O2 |
| Scaffold Graph Node Bond Level | c1ccoc1 |
| Inchi Key | GANSPRKOWQQXPE-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-(Methoxymethyl)-furan, 2-(Methoxymethyl)furan, 9CI, 2-Furfuryl methyl ether, FEMA 3159, Furan, 2-(methoxymethyl)-, Furfuryl methyl ether, Methyl furfuryl ether, 2-(Methoxymethyl)furan, 9ci, furan, 2-(methoxymethyl)- |
| Esol Class | Very soluble |
| Functional Groups | COC, coc |
| Compound Name | Furfuryl methyl ether |
| Kingdom | Organic compounds |
| Exact Mass | 112.052 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.052 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 112.13 |
| 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/C6H8O2/c1-7-5-6-3-2-4-8-6/h2-4H,5H2,1H3 |
| Smiles | COCC1=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 Coffea Arabica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517 - 2. Outgoing r'ship
FOUND_INto/from Coffea Canephora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.3517