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103-53-7 | Phenethyl cinnamate
CAS No: 103-53-7 Catalog No: AG003TO1 MDL No:MFCD00022050
Product Description
Catalog Number:
AG003TO1
Chemical Name:
Phenethyl cinnamate
CAS Number:
103-53-7
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
MDL Number:
MFCD00022050
IUPAC Name:
2-phenylethyl (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
InChI Key:
MJQVZIANGRDJBT-VAWYXSNFSA-N
SMILES:
O=C(/C=C/c1ccccc1)OCCc1ccccc1
EC Number:
203-120-3
UNII:
EY056ZZ9MG
NSC Number:
16962
FEMA Number:
2863
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Inhibitory effects of caffeic acid phenethyl ester derivatives on replication of hepatitis C virus. | PloS one 20130101 |
| Design, synthesis and evaluation of caffeic acid phenethyl ester-based inhibitors targeting a selectivity pocket in the active site of human aldo-keto reductase 1B10. | European journal of medicinal chemistry 20120201 |
| Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors. | Journal of medicinal chemistry 20081023 |
| Antifungal and insect antifeedant 2-phenylethanol esters from the liverwort Balantiopsis cancellata from Chile. | Journal of agricultural and food chemistry 20050126 |
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