chempirical

Tris(4-hydroxyphenyl)ethane

C20H18O3CAS 27955-94-8306.36 g/mol

Open in Covalent MOL file
OHOHHO
Phenol

Properties

Molecular formula
C20H18O3
Molar mass
306.36 g/mol
Exact mass
306.1256 Da
logP
4.16Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Identifiers

CAS number
27955-94-8
SMILES
CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIKey
BRPSWMCDEYMRPE-UHFFFAOYSA-N
InChI
InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3

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Names and synonyms

9 names
  • Phenol, 4,4′,4′′-ethylidynetris-
  • Phenol, 4,4′,4′′-ethylidynetri-
  • 4,4′,4′′-Ethylidynetris[phenol]
  • 1,1,1-[Tris(p-hydroxyphenyl)]ethane
  • 1,1,1-Tris(4-hydroxyphenyl)ethane
  • TrisP-HAP
  • 4,4′,4′′-Ethane-1,1,1-triyltriphenol
  • 1,1,1-Tri(4-hydroxyphenyl)ethane
  • BIP-PHAP

Work with Tris(4-hydroxyphenyl)ethane

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

4,4′-[1-[4-[1-(4-Hydroxyphenyl)-1-methylethyl]phenyl]ethylidene]bis[phenol]110726-28-882 % similar 1,1-Bis(4-hydroxyphenyl)-1-phenylethane1571-75-182 % similar Bisphenol A80-05-764 % similar 4-tert-Butylphenol98-54-464 % similar 4-Cumylphenol599-64-454 % similar Bisphenol B77-40-752 % similar 4-tert-Pentylphenol80-46-652 % similar Hydroquinone123-31-950 % similar

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

Elsewhere

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