Cas no 160417-31-2 (ethyl 3-(4-methylphenyl)benzoate)
160417-31-2 structure
Product Name:ethyl 3-(4-methylphenyl)benzoate
CAS No:160417-31-2
MF:C16H16O2
MW:240.297044754028
CID:2780225
PubChem ID:10728754
Update Time:2025-04-21
ethyl 3-(4-methylphenyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 3-(4-methylphenyl)benzoate
- ethyl 4'-methylbiphenyl-3-carboxylate;4'-methylbiphenyl-3-carboxylic acid ethyl ester;[1,1'-Biphenyl]-3-carboxylic acid,4'-methyl-,ethyl ester;
- AKOS002683374
- 4'-methyl-biphenyl-3-carboxylic acid ethyl ester
- DTXCID80394898
- BDBM50560093
- CHEMBL4740138
- Ethyl 4-methyl[1,1-biphenyl]-3-carboxylate
- [1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-, ethyl ester
- Ethyl 4'-methyl-[1,1'-biphenyl]-3-carboxylate
- TZTGMLCLIDUPQB-UHFFFAOYSA-N
- ethyl 4'-methyl-1,1'-biphenyl-3-carboxylate
- 160417-31-2
- DTXSID10444077
- SCHEMBL5863231
- HS-3972
- ethyl 4'-methylbiphenyl-3-carboxylate
-
- Inchi： 1S/C16H16O2/c1-3-18-16(17)15-6-4-5-14(11-15)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3
- InChI Key： TZTGMLCLIDUPQB-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC=CC(=C1)C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 240.11500
- 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: 4
- Complexity: 266
- 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: 4.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.83870
ethyl 3-(4-methylphenyl)benzoate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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