Structure Database (LMSD)
Common Name
Ethyl 4-phenylbutanoate
Systematic Name
ethyl 4-phenylbutanoate
Synonyms
3D model of Ethyl 4-phenylbutanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
GGFNXKFGVQQNRV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
SMILES (Click to copy)
CCOC(=O)CCCC1C=CC=CC=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
1
Aromatic Rings
1
Rotatable Bonds
6
Van der Waals Molecular Volume
199.92
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.86
Molar Refractivity
56.50
Admin
Created at
-
Updated at
6th Jun 2022