chempirical

4-Propylguaiacol

C10H14O2CAS 2785-87-7166.22 g/mol

Open in Covalent MOL file
OHO
EtherPhenol

Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Density
0.9567 g/mL (at 20 °C)
Boiling point
124 °C (at 15 Torr)
logP
2.35Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
2785-87-7
SMILES
CCCc1ccc(O)c(OC)c1
InChIKey
PXIKRTCSSLJURC-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3

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

Names and synonyms

16 names · show all
  • Phenol, 2-methoxy-4-propyl-
  • Guaiacol, 4-propyl-
  • 2-Methoxy-4-propylphenol
  • 4-Hydroxy-3-methoxypropylbenzene
  • (4-Hydroxy-3-methoxyphenyl)propane
  • Dihydroeugenol
  • p-Propylguaiacol
  • Guaiacylpropane
  • 4-Propyl-2-methoxyphenol
  • Cerulignol
  • Coerulignol
  • 1-(4-Hydroxy-3-methoxyphenyl)propane
  • p-n-Propylguaiacol
  • Euganol
  • 1-(3-Methoxy-4-hydroxyphenyl)propane
  • NSC 53043

Work with 4-Propylguaiacol

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

Homovanillyl alcohol2380-78-171 % similar 4-Ethylguaiacol2785-89-970 % similar 3-Methoxytyramine554-52-969 % similar Dihydroconiferyl alcohol2305-13-767 % similar Vanillyl alcohol498-00-065 % similar Vanillyl butyl ether82654-98-664 % similar 3-O-Methyldopamine hydrochloride1477-68-563 % similar Vanillyl ethyl ether13184-86-662 % similar

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

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 (-)-Camphorquinone10334-26-6 Camphorquinone10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3A(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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