α- [4- (Trifluoromethyl) phenyl] benzeneethanol - CAS 136757-49-8
Catalog: |
BB057196 |
Product Name: |
α- [4- (Trifluoromethyl) phenyl] benzeneethanol |
CAS: |
136757-49-8 |
Synonyms: |
2-Phenyl-1-[4-(trifluoromethyl)phenyl]ethan-1-ol |
IUPAC Name: | 2-phenyl-1-[4-(trifluoromethyl)phenyl]ethanol |
Description: | α- [4- (Trifluoromethyl) phenyl] benzeneethanol is an intermediate in the synthesis of Fluvoxamine (F603500) related compounds. |
Molecular Weight: | 266.26 |
Molecular Formula: | C15H13F3O |
Canonical SMILES: | C1=CC=C(C=C1)CC(C2=CC=C(C=C2)C(F)(F)F)O |
InChI: | InChI=1S/C15H13F3O/c16-15(17,18)13-8-6-12(7-9-13)14(19)10-11-4-2-1-3-5-11/h1-9,14,19H,10H2 |
InChI Key: | RHKBXIJRLCUBBJ-UHFFFAOYSA-N |
Solubility: | DCM, Ethyl Acetate |
Appearance: | Light Yellow Solid |
Storage: | Room Temperature, under inert atmosphere |
References: | Kimachi, T., et la.; Synlett., 3, 365 (2011). |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.09184952 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.09184952 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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