3,5-Dimethoxycinnamic Acid

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for 3,5-Dimethoxycinnamic Acid are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the 3,5-Dimethoxycinnamic Acid?

The molecule 3,5-Dimethoxycinnamic Acid presents a molecular formula of C11H12O4 and its IUPAC name is 3,5-dimethoxycinnamic acid.

3,5-Dimethoxycinnamic acid is a molecule that can be found in a variety of plants. It has a wide range of potential uses, including as a flavoring agent, a fragrance, and an insecticide. It is also being studied for its potential to treat a variety of medical conditions, including cancer..

3,5-Dimethoxycinnamic acid is a natural compound that belongs in a variety of plants. It has a wide range of potential uses, including as a flavoring agent, a fragrance, and an insecticide. It is also being studied for its potential to treat a variety of medical conditions, including cancer..

3,5-Dimethoxycinnamic acid has a variety of potential uses due to its unique chemical structure. It has been shown to have insecticidal properties, and it is also being studied as a possible treatment for cancer. Additionally, 3,5-dimethoxycinnamic acid is a common ingredient in many fragrances and flavors..

Due to its wide range of potential uses, 3,5-dimethoxycinnamic acid is a molecule that is of interest to many industries. Its potential uses in the medical and food industries make it a molecule with a great deal of potential..

3D structure

Cartesian coordinates

Geometry of 3,5-Dimethoxycinnamic Acid in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

3,5-Dimethoxycinnamic Acid VLSRUFWCGBMYDJ-ONEGZZNKSA-N chemical compound 2D structure molecule svg
3,5-Dimethoxycinnamic Acid

 

Molecule descriptors

 
IUPAC name3,5-dimethoxycinnamic acid
InChI codeInChI=1S/C10H22/c1-5-7-10(4)8-9(3)6-2/h9-10H,5-8H2,1-4H3
InChI KeyVLSRUFWCGBMYDJ-ONEGZZNKSA-N
SMILESC(=O)(/C=C/c1cc(cc(c1)OC)OC)O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC name3,5-dimethoxycinnamic acid
Molecular formulaC11H12O4
Molecular weight208.211
Melting point (ºC)175
Boiling point (ºC)-
Density (g/cm3)-
Molar refractivity56.10
LogP1.8
Topological polar surface area-

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.