Cas no 776317-79-4 (Methanone,(4-ethylphenyl)(3-hydroxy-4-pyridinyl)-)
776317-79-4 structure
Product Name:Methanone,(4-ethylphenyl)(3-hydroxy-4-pyridinyl)-
CAS No:776317-79-4
MF:C14H13NO2
MW:227.258523702621
CID:552839
PubChem ID:23103597
Update Time:2025-04-19
Methanone,(4-ethylphenyl)(3-hydroxy-4-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,(4-ethylphenyl)(3-hydroxy-4-pyridinyl)-
- 4-(4-Ethylbenzoyl)-3-hydroxypyridine
- Methanone, (4-ethylphenyl)(3-hydroxy-4-pyridinyl)- (9CI)
- (4-Ethylphenyl)(3-hydroxy-4-pyridinyl)methanone
- SCHEMBL4849875
- Methanone,(4-ethylphenyl)(3-hydroxy-4-pyridinyl)-(9ci)
- OZSDEAOWUNRZBW-UHFFFAOYSA-N
- 776317-79-4
-
- Inchi: 1S/C14H13NO2/c1-2-10-3-5-11(6-4-10)14(17)12-7-8-15-9-13(12)16/h3-9,16H,2H2,1H3
- InChI Key: OZSDEAOWUNRZBW-UHFFFAOYSA-N
- SMILES: O=C(C1C=CN=CC=1O)C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 227.09500
- Monoisotopic Mass: 227.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 50.2A^2
- XLogP3: 3.2
Experimental Properties
- PSA: 50.19000
- LogP: 2.58060
Methanone,(4-ethylphenyl)(3-hydroxy-4-pyridinyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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