(4- Hydroxyphenyl) (4- (prop- 2- yn- 1- yloxy) phenyl) methanone - CAS 1208395-99-6
Catalog: |
BB060821 |
Product Name: |
(4- Hydroxyphenyl) (4- (prop- 2- yn- 1- yloxy) phenyl) methanone |
CAS: |
1208395-99-6 |
Synonyms: |
(4-Hydroxyphenyl)[4-(2-propyn-1-yloxy)phenyl]methanone;(4-Hydroxyphenyl)[4-(prop-2-yn-1-yloxy)phenyl]methanone |
IUPAC Name: | (4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone |
Description: | (4- Hydroxyphenyl) (4- (prop- 2- yn- 1- yloxy) phenyl) methanone is a reactant used in the synthesis of clickable photoaffinity photoprobes which act as ligands, as allosteric modulators, for G-protein coupled receptors, specifically glutamate receptor 5. |
Molecular Weight: | 252.26 |
Molecular Formula: | C16H12O3 |
Canonical SMILES: | C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O |
InChI: | InChI=1S/C16H12O3/c1-2-11-19-15-9-5-13(6-10-15)16(18)12-3-7-14(17)8-4-12/h1,3-10,17H,11H2 |
InChI Key: | TZKIHDJSIXVMIQ-UHFFFAOYSA-N |
References: | Gregory, K. et al. ACS Chem. Biol., 11, 1870 (2016). |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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