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

What is the Acetaminosalol?

The molecule Acetaminosalol presents a molecular formula of C15H13NO4 and its IUPAC name is (4-acetamidophenyl) 2-hydroxybenzoate.

Acetaminosalol is a molecule that is used as a drug. It is a prodrug of acetaminophen, and is used to treat pain and fever. It is a white, crystalline solid, and is soluble in water..

3D structure

Cartesian coordinates

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

2D drawing


Acetaminosalol TWIIVLKQFJBFPW-UHFFFAOYSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name(4-acetamidophenyl) 2-hydroxybenzoate
InChI codeInChI=1S/C15H13NO4/c1-10(17)16-11-6-8-12(9-7-11)20-15(19)13-4-2-3-5-14(13)18/h2-9,18H,1H3,(H,16,17)

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.

  • (4-acetamidophenyl) 2-hydroxybenzoate
  • 118-57-0
  • 2-Hydroxybenzoic acid, 4-(acetylamino)phenyl-, ester
  • 2-hydroxybenzoic acid 4-(acetylamino)phenyl ester
  • 4'-Hydroxyacetanilide salicylate
  • 4-(Acetylamino)phenyl salicylate
  • 4-(Acetylamino)phenyl salicylate #
  • 4-Acetamidophenyl salicylate
  • 4-Acetaminophenylsalicylate
  • 4-Acetylaminophenyl salicylat
  • 4-Hydroxyacetanilide salicylate
  • 4-acetamidophenyl 2-hydroxybenzoate
  • 4-acetamidophenyl2-hydroxybenzoate
  • AB00052232_02
  • Acetaminosalol
  • Acetaminosalolo
  • Acetaminosalolum
  • Acetyl-p-aminophenylsalicylate
  • Asalphen
  • Benzoic acid, 2-hydroxy-, 4-(acetylamino)phenyl ester
  • CCG-38983
  • Cetosal
  • Cetosalol
  • DSSTox_CID_25865
  • DSSTox_GSID_45865
  • DSSTox_RID_81185
  • DivK1c_000629
  • HMS1921L21
  • HMS501P11
  • IDI1_000629
  • KBio1_000629
  • KBio2_000637
  • KBio2_003205
  • KBio2_005773
  • KBio3_001972
  • KBioGR_001589
  • KBioSS_000637
  • NCGC00094917-01
  • NCGC00094917-02
  • NINDS_000629
  • NSC 757877
  • NSC-757877
  • NSC757877
  • O3J7H54KMD
  • Pharmakon1600-01501170
  • Phenestal
  • Phenetsal
  • Phenosol
  • Q4673251
  • SBI-0051670.P002
  • SPECTRUM1501170
  • SR-01000872767
  • SR-01000872767-1
  • Salicylic acid p-acetylaminophenyl ester
  • Salicylic acid, ester with 4'-hydroxyacetanilide
  • Salofena
  • Salophen
  • acetaminosalol

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC865
  • CAS-118-57-0
  • AKOS022179581
  • BRD-K58464880-001-02-5
  • DTXSID7045865
  • CHEMBL92590
  • CHEBI:135115
  • Tox21_111357
  • EINECS 204-261-3
  • SPBio_001562
  • SCHEMBL25220
  • Spectrum_000157
  • Spectrum2_001431
  • Spectrum3_000936
  • Spectrum4_001035
  • Spectrum5_001149

Physico-Chemical properties

IUPAC name(4-acetamidophenyl) 2-hydroxybenzoate
Molecular formulaC15H13NO4
Molecular weight271.268
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity74.18
Topological polar surface area75.6

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.