| Canonical Smiles | COC1=C2C(=CC(=C1)CO)C=CO2 |
|---|---|
| IUPAC Name | (7-methoxy-1-benzofuran-5-yl)methanol |
| InChIKey | NIOKZQQSRJOMAP-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O3/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5,11H,6H2,1H3 |
| Molecular Weight | 178.18 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Anisoles Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Furan - Heteroaromatic compound - Oxacycle - Ether - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These 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. |
| External Descriptors | Not available |
| Molecular Weight | 178.180 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 178.063 Da |
| Monoisotopic Mass | 178.063 Da |
| Topological Polar Surface Area | 42.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 172.000 |
| 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 |
