2-Methyl-5-(fur-3-yl)-pent-1-en-3-ol
PubChem CID: 557594
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| Compound Synonyms | Lepalol, 2-Methyl-5-(fur-3-yl)-pent-1-en-3-ol, YIVMCXYIUTUOOZ-UHFFFAOYSA-N, 5-(3-Furyl)-2-methyl-1-penten-3-ol # |
|---|---|
| Topological Polar Surface Area | 33.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Description | Lepalol is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Lepalol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Lepalol can be found in roman camomile, which makes lepalol a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 154.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(furan-3-yl)-2-methylpent-1-en-3-ol |
| Nih Violation | False |
| Class | Heteroaromatic compounds |
| Xlogp | 2.2 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C10H14O2 |
| Inchi Key | YIVMCXYIUTUOOZ-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | 5-(3-Furyl)-2-methyl-1-penten-3-ol, a-(1-Methylethenyl)-3-furanpropanol, 9CI, Lepalol |
| Compound Name | 2-Methyl-5-(fur-3-yl)-pent-1-en-3-ol |
| Kingdom | Organic compounds |
| Exact Mass | 166.099 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 166.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 166.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Inchi | InChI=1S/C10H14O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-7,10-11H,1,3-4H2,2H3 |
| Smiles | CC(=C)C(CCC1=COC=C1)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Heteroaromatic compounds |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:fooddb_chem_all