| Canonical Smiles | COC1=C(C=C(C(=C1)F)O)Br |
|---|---|
| IUPAC Name | 5-bromo-2-fluoro-4-methoxyphenol |
| InChIKey | UOYXPWBIQQRHLA-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrFO2/c1-11-7-3-5(9)6(10)2-4(7)8/h2-3,10H,1H3 |
| Isomeric SMILES | COC1=C(C=C(C(=C1)F)O)Br |
| PubChem CID | 56973176 |
| Molecular Weight | 221.024 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Methoxyphenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxyphenols |
| Alternative Parents | 4-alkoxyphenols Phenoxy compounds O-fluorophenols Methoxybenzenes M-bromophenols Anisoles Fluorobenzenes Bromobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Methoxyphenol - 4-alkoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 3-halophenol - 2-fluorophenol - 3-bromophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
| External Descriptors | Not available |
| Molecular Weight | 221.020 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 219.954 Da |
| Monoisotopic Mass | 219.954 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 134.000 |
| 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 |
