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Ethyl 3- (4-methoxyphenyl) propanoate

CAT: 0013-GTR19181857-01Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19181857-01Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethyl 3- (4-methoxyphenyl) propanoate is a phenolic ester used as a synthetic intermediate in medicinal chemistry research. It serves as a key building block for the development of novel compounds investigated in both biochemical (in vitro) and pharmacological (in vivo) studies.
CAS Number
22767-72-2
Product Name Alternative
Ethyl-p-methoxyhydrocinnamate, Ethyl 3 (4 methoxyphenyl) propanoate, Ethyl 3 (4methoxyphenyl) propanoate, Ethyl 3- (4-methoxyphenyl) propanoate
Purity
98.37% (May vary between batches)
Solubility
DMSO:≥ 80 mg/mL
Smiles
CCOC (=O) CCc1ccc (OC) cc1
Molecular Formula
C12H16O3
Molecular Weight
208.25
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Ethyl 3-(4-methoxyphenyl)propanoate
CAS Number22767-72-2
PubChem CID348843
IUPAC Nameethyl 3-(4-methoxyphenyl)propanoate
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP2.7
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity183
SMILES
CCOC(=O)CCC1=CC=C(C=C1)OC
InChI
InChI=1S/C12H16O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-5,7-8H,3,6,9H2,1-2H3
InChIKey
BDSDTKZBFYSNLI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-(4-methoxyphenyl)propanoate
CAS: 22767-72-2
CID: 348843
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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