chempirical

Hexylresorcinol

C12H18O2CAS 136-77-6194.27 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C12H18O2
Molar mass
194.27 g/mol
Exact mass
194.1307 Da
Melting point
67.5–69 °C
Boiling point
178–180 °C (at 6.7 Torr)
Water solubility
500 mg/L (18 °C)
logP
3.22Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
136-77-6
SMILES
CCCCCCc1ccc(O)cc1O
InChIKey
WFJIVOKAWHGMBH-UHFFFAOYSA-N
InChI
InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3

Weigh it out

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

Names and synonyms

31 names · show all
  • 1,3-Benzenediol, 4-hexyl-
  • Resorcinol, 4-hexyl-
  • 4-Hexyl-1,3-benzenediol
  • S.T. 37
  • Caprokol
  • Crystoids
  • Cystoids anthelmintic
  • 4-Hexyl-1,3-dihydroxybenzene
  • 4-Hexylresorcine
  • p-Hexylresorcinol
  • 4-Hexylresorcinol
  • Sucrets
  • 4-n-Hexylresorcinol
  • 1,3-Dihydroxy-4-hexylbenzene
  • Adrover
  • Hidesol
  • Antascarin
  • Ascaricid
  • Oxana
  • Ascarinol
  • Prensol
  • 4-(1-Hexyl)resorcinol
  • 1-(2′,4′-Dihydroxyphenyl)hexane
  • Mycoderm
  • EverFresh
  • KOM 14
  • Worm-agen
  • Gelovermin
  • Ascaryl
  • NSC 1570
  • Synovea HR

Work with Hexylresorcinol

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

4-Dodecylresorcinol24305-56-4100 % similar 4-Butylresorcinol18979-61-887 % similar 4-Propylresorcinol18979-60-774 % similar Nonylphenol25154-52-367 % similar 2-Heptylphenol5284-22-067 % similar Amylmetacresol1300-94-366 % similar 4-Ethylresorcinol2896-60-859 % similar 1-Nonyl-4-phenol104-40-558 % similar

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

Same formula

1,1-Dimethylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate154970-45-3 4-(Hexyloxy)phenol18979-55-0 [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-7 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-6 α1,α1,α4,α4-Tetramethyl-1,4-benzenedimethanol2948-46-1 7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)37777-16-5 1-Adamantaneacetic acid4942-47-6 Sedanolide6415-59-4

Elsewhere

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