Cas no 194605-54-4 (Benzoic acid, 3-(2-phenylethyl)-, methyl ester)
194605-54-4 structure
Product Name:Benzoic acid, 3-(2-phenylethyl)-, methyl ester
CAS No:194605-54-4
MF:C16H16O2
MW:240.297044754028
CID:1387139
PubChem ID:53961900
Update Time:2025-04-20
Benzoic acid, 3-(2-phenylethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(2-phenylethyl)-, methyl ester
- 3-phenethylbenzoic acid methyl ester
- BENZOIC ACID,3-(2-PHENYLETHYL)-,METHYL ESTER
- AMY38434
- 3-Phenethyl-benzoic acid methyl ester
- methyl 3-phenethylbenzoate
- WFEXYPQDVOVOOW-UHFFFAOYSA-N
- 194605-54-4
- SCHEMBL1926802
- methyl 3-phenethyl benzoate
- METHYL 3-(2-PHENYLETHYL)BENZOATE
-
- MDL： MFCD11617030
- Inchi： 1S/C16H16O2/c1-18-16(17)15-9-5-8-14(12-15)11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
- InChI Key： WFEXYPQDVOVOOW-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=CC(=C1)CCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 240.11508
- Monoisotopic Mass: 240.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 256
- 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
- XLogP3: 4.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 3-(2-phenylethyl)-, methyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
194605-54-4 (Benzoic acid, 3-(2-phenylethyl)-, methyl ester) Related Products
- 148438-03-3(Methyl 4-cyclopropylbenzoate)
- 123910-88-3(4-(4-Hydroxybutyl)benzoic Acid Methyl Ester)
- 98092-75-2(Benzoic acid, 4-(3-hydroxypropyl)-, ethyl ester)
- 17745-40-3(Methyl 4-Propionylbenzoate)
- 23450-30-8(Benzoic acid,4-(phenylmethyl)-, methyl ester)
- 20651-69-8(Methyl 4-Butylbenzoate)
- 22744-50-9(4-(2-Oxo-propyl)-benzoic Acid methyl ester)
- 54256-51-8(Methyl 4-octylbenzoate)
- 7364-20-7(Methyl 4-Ethylbenzoate)
- 785-79-5(4-(2-phenylethyl)benzoic acid)
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