chempirical

1,4-Bis(1,1-dimethylethyl)-2,5-dimethoxybenzene

C16H26O2CAS 7323-63-9250.38 g/mol

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OO
Ether

Properties

Molecular formula
C16H26O2
Molar mass
250.38 g/mol
Exact mass
250.1933 Da
Melting point
103–104 °C
logP
4.30Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
7323-63-9
SMILES
COc1cc(C(C)(C)C)c(OC)cc1C(C)(C)C
InChIKey
ATGCJUULFWEWPY-UHFFFAOYSA-N
InChI
InChI=1S/C16H26O2/c1-15(2,3)11-9-14(18-8)12(16(4,5)6)10-13(11)17-7/h9-10H,1-8H3

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

Names and synonyms

7 names
  • Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-
  • Benzene, 1,4-di-tert-butyl-2,5-dimethoxy-
  • 1,4-Dimethoxy-2,5-di-tert-butylbenzene
  • 2,5-Di-tert-butyl-1,4-dimethoxybenzene
  • 1,4-Di-tert-butyl-2,5-dimethoxybenzene
  • NSC 124045
  • 1,4-Ditert-butyl-2,5-dimethoxybenzene

Work with 1,4-Bis(1,1-dimethylethyl)-2,5-dimethoxybenzene

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-(1,1-Dimethylethyl)-3-methoxybenzoic acid79822-46-149 % similar 2,6-Di-tert-butyl-4-methoxyphenol489-01-048 % similar 3-tert-Butyl-4-hydroxyanisole121-00-644 % similar Tris(2,4-di-tert-butylphenyl) phosphite31570-04-441 % similar 4-tert-Butylanisole5396-38-339 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-538 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-738 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-638 % similar

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

Same formula

Sclareolide564-20-5 2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediol79-74-3 Triton X-1009002-93-1

Elsewhere

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