| Canonical Smiles | CC(C1=CC=CC=C1)(C2=CC=CC=N2)O |
|---|---|
| IUPAC Name | 1-phenyl-1-pyridin-2-ylethanol |
| InChIKey | JZSWVCNVNOZMFN-UHFFFAOYSA-N |
| INCHI | 1S/C13H13NO/c1-13(15,11-7-3-2-4-8-11)12-9-5-6-10-14-12/h2-10,15H,1H3 |
| Isomeric SMILES | CC(C1=CC=CC=C1)(C2=CC=CC=N2)O |
| PubChem CID | 86883 |
| Molecular Weight | 199.253 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridines and derivatives |
| Alternative Parents | Benzene and substituted derivatives Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 199.250 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 199.1 Da |
| Monoisotopic Mass | 199.1 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 201.000 |
| 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 |
