Cas no 893739-01-0 (Benzenemethanol,4-(3-quinolinyl)-)
893739-01-0 structure
Product Name:Benzenemethanol,4-(3-quinolinyl)-
CAS No:893739-01-0
MF:C15H14O3
MW:242.269864559174
CID:714682
PubChem ID:53426136
Update Time:2025-04-19
Benzenemethanol,4-(3-quinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,4-(3-quinolinyl)-
- [4-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]methanol
- 4-(2,3-Dihydrobenzo[1,4]dioxin-6-yl)benzyl alcohol
- 4-(2,3-DIHYDROBENZO1,4DIOXIN-6-YL)BENZYL ALCOHOL
- 3-(4-hydroxymethylphenyl)quinoline
- 4-(2-Oxo-2,3-dihydrobenzothiazol-6-yl)benzyl alcohol
- 4-(3-Oxo-3,4-dihydro-2H-benzothiazin-7-yl)benzyl alcohol
- 4-(4-Oxo-chromen-6-yl)benzyl alcohol
- 4-(Quinolin-3-yl)benzyl alcohol
- 4-(Quinolin-6-yl)benzyl alcohol
- Benzenemethanol,4-(3-quinolinyl)
- 893739-01-0
- DTXSID30699082
-
- Inchi: 1S/C15H14O3/c16-10-11-1-3-12(4-2-11)13-5-6-14-15(9-13)18-8-7-17-14/h1-6,9,16H,7-8,10H2
- InChI Key: UNKQAGUNIXLHRM-UHFFFAOYSA-N
- SMILES: O1CCOC2C=CC(=CC1=2)C1C=CC(CO)=CC=1
Computed Properties
- Exact Mass: 242.09400
- Monoisotopic Mass: 242.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 261
- 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: 38.7A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- PSA: 38.69000
- LogP: 2.61710
Benzenemethanol,4-(3-quinolinyl)- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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