chempirical

Guaifenesin

C10H14O4CAS 93-14-1198.22 g/mol

Open in Covalent MOL file
OOOHHO
AlcoholEther

Properties

Molecular formula
C10H14O4
Molar mass
198.22 g/mol
Exact mass
198.0892 Da
Melting point
78.5–79 °C
Boiling point
215 °C (at 19 Torr)
logP
0.43Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
93-14-1
SMILES
COc1ccccc1OCC(O)CO
InChIKey
HSRJKNPTNIJEKV-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

75 names · show all
  • 1,2-Propanediol, 3-(2-methoxyphenoxy)-
  • 1,2-Propanediol, 3-(o-methoxyphenoxy)-
  • 3-(2-Methoxyphenoxy)-1,2-propanediol
  • SL 90
  • Aeronesin
  • Aresol
  • Creson
  • 1,2-Dihydroxy-3-(2-methoxyphenoxy)propane
  • Dilyn
  • Glycerin guaiacolate
  • Glycerol guaiacolate
  • Glycerol α-(o-methoxyphenyl)ether
  • Glyceryl guaiacolate
  • α-Glyceryl guaiacolate ether
  • Glyceryl guaiacyl ether
  • Glycotuss
  • α-Glyceryl guaiacol ether
  • Guaiacuran
  • Guaiacurane
  • Guaiacyl glyceryl ether
  • Guaiamar
  • Guaianesin
  • Guaiphenesin
  • Guaiphenesine
  • Guajacuran
  • Guayanesin
  • 3-(o-Methoxyphenoxy)-1,2-propanediol
  • o-Methoxyphenyl glyceryl ether
  • Methphenoxydiol
  • Myocaine
  • Neuroton
  • Neurotone
  • Oresol
  • Oreson
  • Reorganin
  • Respenyl
  • Resyl
  • Ritussin
  • Guaiacol glyceryl ether
  • Glycerylguaiacol
  • Guaiacol glycerol ether
  • Glyceryl guaiacolate ether
  • Glycerol α-guaiacyl ether
  • Glycerol α-(2-methoxyphenyl) ether
  • XL 90
  • Myoscain
  • Relaxil G
  • Calmipan
  • Tenntuss
  • Tulyn
  • Sirotol
  • Guaiacol glycerin ether
  • Muskurelax
  • Myocain
  • Hytuss
  • Miocurin
  • Guanar
  • My 301
  • Robitussin
  • Glyceryl guaiacol ether
  • Trecid
  • Hustosil
  • Racemic-Guaifenesin
  • Guaifenesine
  • Tenntus
  • Actifed C
  • Equicol
  • Colrex expectorant
  • Amonidren
  • 2-G
  • Glycodex
  • NSC 62112
  • Organidin NR
  • Mucinex
  • Giafen

Work with Guaifenesin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-Mephenesin59-47-267 % similar Methocarbamol532-03-660 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-456 % similar 2,3-Dihydro-1,4-benzodioxin-2-methanol3663-82-949 % similar 1,2-Dimethoxybenzene91-16-747 % similar 3-(Benzyloxy)-1,2-propanediol13071-59-546 % similar (-)-3-Benzyloxy-1,2-propanediol17325-85-846 % similar 3-(Benzyloxy)-1,2-propanediol4799-67-146 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 4,5-Dihydro-2,5-dimethyl-4-oxo-3-furanyl butanoate114099-96-6 (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9 Polyethylene glycol dimethacrylate25852-47-5 3,4,5-Trimethoxybenzyl alcohol3840-31-1 Divinyl adipate4074-90-2

Elsewhere

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