chempirical

5,5′-(1-Methylethylidene)bis[2-hydroxy-1,3-benzenedimethanol]

C19H24O6CAS 3957-22-0348.40 g/mol

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OHOHHOOHOHHO
AlcoholPhenol

Properties

Molecular formula
C19H24O6
Molar mass
348.40 g/mol
Exact mass
348.1573 Da
logP
1.39Crippen estimate
Polar surface area
121.4 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
6

Identifiers

CAS number
3957-22-0
SMILES
CC(C)(c1cc(CO)c(O)c(CO)c1)c1cc(CO)c(O)c(CO)c1
InChIKey
ZRIRUWWYQXWRNY-UHFFFAOYSA-N
InChI
InChI=1S/C19H24O6/c1-19(2,15-3-11(7-20)17(24)12(4-15)8-21)16-5-13(9-22)18(25)14(6-16)10-23/h3-6,20-25H,7-10H2,1-2H3

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

Names and synonyms

8 names
  • 1,3-Benzenedimethanol, 5,5′-(1-methylethylidene)bis[2-hydroxy-
  • m-Xylene-α,α′-diol, 5,5′-isopropylidenebis[2-hydroxy-
  • 2,2-Bis(4-hydroxy-3,5-dihydroxymethylphenyl)propane
  • TM-BIP-A
  • TML-BPA
  • TML-BPA-MF
  • AV Lite TM-BIP-A
  • (Propane-2,2-diylbis(2-hydroxybenzene-5,3,1-triyl))tetramethanol

Work with 5,5′-(1-Methylethylidene)bis[2-hydroxy-1,3-benzenedimethanol]

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

2,6-Bis(hydroxymethyl)-P-cresol91-04-355 % similar Tetrabromobisphenol A79-94-753 % similar 2,2-Bis(3,5-dimethyl-4-hydroxyphenyl)propane5613-46-750 % similar 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-641 % similar O,O′-Diallylbisphenol A1745-89-738 % similar Phosgene-tetrabromobisphenol A polymer bis(2,4,6-tribromophenyl) ester71342-77-337 % similar Syringyl alcohol530-56-337 % similar Bisphenol A80-05-735 % similar

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

Elsewhere

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