2,5-Dimethoxybenzyl Alcohol

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

What is the 2,5-Dimethoxybenzyl Alcohol?

The molecule 2,5-Dimethoxybenzyl Alcohol presents a molecular formula of C9H12O3 and its IUPAC name is 2,5-dimethoxybenzyl alcohol.

2,5-Dimethoxybenzyl alcohol (also known as 2C-H) is a molecule of the phenethylamine class. It is an alcohol derivative of 2C-H, and has similar properties. It is a white solid at room temperature and pressure, with a melting point of 48.5 °C and a boiling point of 290.5 °C..

2,5-Dimethoxybenzyl alcohol is a psychedelic drug of the phenethylamine class. It was first synthesized by Alexander Shulgin, and was described in his book PiHKAL (Phenethylamines i Have Known And Loved). The dosage range is similar to that of 2C-H, between 10 and 20 mg..

2,5-Dimethoxybenzyl alcohol has very similar effects to 2C-H. The effects last for 6-8 hours, with a peak at 3-4 hours. The effects include visuals (enhanced colors, patterns, and shapes), euphoria, increased creativity, and spiritual experiences. At high doses, there may also be auditory and tactile hallucinations..

2,5-Dimethoxybenzyl alcohol is not currently scheduled as a controlled substance, but it could be considered a controlled substance analog under the Federal Analog Act..

3D structure

Cartesian coordinates

Geometry of 2,5-Dimethoxybenzyl Alcohol in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

2,5-Dimethoxybenzyl Alcohol WGQMUABRZGUAOS-UHFFFAOYSA-N chemical compound 2D structure molecule svg
2,5-Dimethoxybenzyl Alcohol

 

Molecule descriptors

 
IUPAC name2,5-dimethoxybenzyl alcohol
InChI codeInChI=1S/C10H22/c1-6-10(9(4)5)7-8(2)3/h8-10H,6-7H2,1-5H3
InChI KeyWGQMUABRZGUAOS-UHFFFAOYSA-N
SMILESc1(c(ccc(c1)OC)OC)CO

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 name2,5-dimethoxybenzyl alcohol
Molecular formulaC9H12O3
Molecular weight168.19
Melting point (ºC)-
Boiling point (ºC)-
Density (g/cm3)1.170
Molar refractivity45.55
LogP1.2
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.