| Canonical Smiles | CC1=C(OC=C1)CO |
|---|---|
| IUPAC Name | (3-methylfuran-2-yl)methanol |
| InChIKey | WXEPXQSJJAEGFO-UHFFFAOYSA-N |
| INCHI | 1S/C6H8O2/c1-5-2-3-8-6(5)4-7/h2-3,7H,4H2,1H3 |
| Isomeric SMILES | CC1=C(OC=C1)CO |
| PubChem CID | 11194308 |
| Molecular Weight | 112.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Heteroaromatic compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Heteroaromatic compounds |
| Alternative Parents | Furans Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
| External Descriptors | Not available |
| Molecular Weight | 112.130 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 112.052 Da |
| Monoisotopic Mass | 112.052 Da |
| Topological Polar Surface Area | 33.400 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 72.900 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
