| Canonical Smiles | C1CC(OC1)COC2=CC=CC=C2CO |
|---|---|
| IUPAC Name | [2-(oxolan-2-ylmethoxy)phenyl]methanol |
| InChIKey | IGKCJUNAEKKZBU-UHFFFAOYSA-N |
| INCHI | 1S/C12H16O3/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-2,4,6,11,13H,3,5,7-9H2 |
| Molecular Weight | 208.250 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzyl alcohols Alkyl aryl ethers Oxolanes Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Benzyl alcohol - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Oxolane - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 208.250 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 208.11 Da |
| Monoisotopic Mass | 208.11 Da |
| Topological Polar Surface Area | 38.700 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![[2-(Oxolan-2-ylmethoxy)phenyl]methanol - ≥95% , CAS No.1021031-79-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)