chempirical

25,26,27,28-Tetrahydroxycalix[4]arene

C28H24O4CAS 74568-07-3424.50 g/mol

Open in Covalent MOL file
OHOHOHHO
Phenol

Properties

Molecular formula
C28H24O4
Molar mass
424.50 g/mol
Exact mass
424.1675 Da
Melting point
313 °C
logP
5.19Crippen estimate
Polar surface area
80.9 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
74568-07-3
SMILES
Oc1c2cccc1Cc1cccc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2
InChIKey
YPNHVQZZPXPQOS-UHFFFAOYSA-N
InChI
InChI=1S/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2

Weigh it out

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

Names and synonyms

7 names
  • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
  • Calix[4]arene-25,26,27,28-tetrol
  • Calix[4]arenetetrol
  • Calix[4]arene
  • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,25,26,27-tetrol
  • CALX 4
  • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17,25,27-tetrol

Work with 25,26,27,28-Tetrahydroxycalix[4]arene

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

9,10-Dihydroanthracene613-31-050 % similar 4H-Cyclopenta[def]phenanthrene203-64-543 % similar Fluorene86-73-743 % similar Pyrogallol87-66-143 % similar Dithranol1143-38-041 % similar 2,6-Dibromophenol608-33-341 % similar 2,6-Dichlorophenol87-65-041 % similar P-tert-Butylcalix[4]arene60705-62-641 % similar

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

Elsewhere

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