Cas no 59365-67-2 (1,2-Propanediol, 3-[4-(phenylmethyl)phenoxy]-)
![1,2-Propanediol, 3-[4-(phenylmethyl)phenoxy]- structure](https://ossimg.kuujia.com/scimg/59500/59365-67-2x500.png)
59365-67-2 structure
Product Name:1,2-Propanediol, 3-[4-(phenylmethyl)phenoxy]-
CAS No:59365-67-2
MF:C16H18O3
MW:258.312325000763
CID:338888
PubChem ID:14699866
Update Time:2025-04-19
1,2-Propanediol, 3-[4-(phenylmethyl)phenoxy]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol, 3-[4-(phenylmethyl)phenoxy]-
- 3-(4-benzylphenoxy)propane-1,2-diol
- DTXSID10563151
- AKOS021168823
- 59365-67-2
- SCHEMBL11454127
-
- Inchi： 1S/C16H18O3/c17-11-15(18)12-19-16-8-6-14(7-9-16)10-13-4-2-1-3-5-13/h1-9,15,17-18H,10-12H2
- InChI Key： BWAUGRRSICBHBP-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)CC1C=CC=CC=1)CC(CO)O
Computed Properties
- Exact Mass: 258.12564
- Monoisotopic Mass: 258.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
1,2-Propanediol, 3-[4-(phenylmethyl)phenoxy]- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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2. 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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
59365-67-2 (1,2-Propanediol, 3-[4-(phenylmethyl)phenoxy]-) Related Products
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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