chempirical

2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediol

C16H26O2CAS 79-74-3250.38 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C16H26O2
Molar mass
250.38 g/mol
Exact mass
250.1933 Da
Density
1.05 g/mL (at 25 °C)
Melting point
179.4–180.4 °C
logP
4.47Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
79-74-3
SMILES
CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O
InChIKey
CZNRFEXEPBITDS-UHFFFAOYSA-N
InChI
InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3

Weigh it out

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Names and synonyms

21 names · show all
  • 1,4-Benzenediol, 2,5-bis(1,1-dimethylpropyl)-
  • Hydroquinone, 2,5-di-tert-pentyl-
  • 2,5-Di-tert-amylhydroquinone
  • 2,5-Bis(1,1-dimethylpropyl)hydroquinone
  • Santovar A
  • 2,5-Di-tert-pentylhydroquinone
  • DAH
  • DAHQ
  • Antage DAH
  • 2,5-Di-t-amylhydroquinone
  • 2,5-Di(tert-amyl)-1,4-benzohydroquinone
  • DTAHQ
  • Lowinox AH 25
  • AH 25
  • 2,5-Di(tert-amyl)hydroquinone
  • NSC 455
  • NSC 6267
  • Santovar TAHQ
  • Nocrac DAH
  • 2,5-Di-tert-pentyl-1,4-benzenediol
  • Bostex 517

Work with 2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediol

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

2,4-Di-tert-amylphenol120-95-667 % similar 2,5-Bis(1,1,3,3-tetramethylbutyl)-1,4-benzenediol903-19-561 % similar 2,5-Di-tert-butylhydroquinone88-58-450 % similar 4-tert-Pentylphenol80-46-645 % similar tert-Amylbenzene2049-95-840 % similar 3-Methyl-6-tert-butylphenol88-60-839 % similar Uv-32825973-55-138 % similar 2-tert-Butyl-4-ethylphenol96-70-836 % similar

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

Same formula

Sclareolide564-20-5 1,4-Bis(1,1-dimethylethyl)-2,5-dimethoxybenzene7323-63-9 Triton X-1009002-93-1

Elsewhere

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