chempirical

4,4′-(1,3-Dimethylbutylidene)bis[phenol]

C18H22O2CAS 6807-17-6270.37 g/mol

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OHOH
Phenol

Properties

Molecular formula
C18H22O2
Molar mass
270.37 g/mol
Exact mass
270.1620 Da
Melting point
150 °C
logP
4.45Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
6807-17-6
SMILES
CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
InChIKey
VHLLJTHDWPAQEM-UHFFFAOYSA-N
InChI
InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3

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Names and synonyms

10 names
  • Phenol, 4,4′-(1,3-dimethylbutylidene)bis-
  • Phenol, 4,4′-(1,3-dimethylbutylidene)di-
  • 2,2-Bis(4-hydroxyphenyl)-4-methylpentane
  • 2,2-(4-Hydroxyphenyl)-4-methylpentane
  • NSC 73727
  • Bis MIBK
  • 4,4′-(1,3-Dimethylbutylidene)bisphenol
  • 2,2-Bis(4′-hydroxyphenyl)-4-methylpentane
  • BisP-MIBK
  • Bisphenol MIBK

Work with 4,4′-(1,3-Dimethylbutylidene)bis[phenol]

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

Bisphenol B77-40-758 % similar Tris(4-hydroxyphenyl)ethane27955-94-847 % similar Bisphenol A80-05-747 % similar 4-tert-Butylphenol98-54-447 % similar Diphenolic acid126-00-146 % similar 4-tert-Pentylphenol80-46-644 % similar 4-tert-Octylphenol140-66-943 % similar 4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol]110726-28-841 % similar

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

Same formula

Trenbolone10161-33-8 Estra-4,9-diene-3,17-dione5173-46-6 Estrone53-16-7 Dicumyl peroxide80-43-3 Hexestrol84-16-2

Elsewhere

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