Menthofurolactone
PubChem CID: 22728845
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| Compound Synonyms | Menthofurolactone, 3,6-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(3H)-one, 2(3H)-Benzofuranone, 4,5,6,7-tetrahydro-3,6-dimethyl-, SCHEMBL7541027, DTXSID60864387, 3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran-2(3H)-one, 3,6-DIMETHYL-4,5,6,7-TETRAHYDRO-3H-1-BENZOFURAN-2-ONE |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | APRDSJRFFKMSPY-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | Menthofurolactone |
| Kingdom | Organic compounds |
| Description | Menthofurolactone is a member of the class of compounds known as benzofurans. Benzofurans are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Menthofurolactone is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Menthofurolactone can be found in cornmint, which makes menthofurolactone a potential biomarker for the consumption of this food product. |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.099 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 253.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,6-dimethyl-4,5,6,7-tetrahydro-3H-1-benzofuran-2-one |
| Total Atom Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Total Bond Stereocenter Count | 0.0 |
| Class | Benzofurans |
| Inchi | InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-7H,3-5H2,1-2H3 |
| Smiles | CC1CCC2=C(C1)OC(=O)C2C |
| Xlogp | 2.0 |
| Superclass | Organoheterocyclic compounds |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzofurans |
| Molecular Formula | C10H14O2 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all