chempirical

Hexestrol

C18H22O2CAS 84-16-2270.37 g/mol

Open in Covalent MOL file
OHOH
Phenol

Properties

Molecular formula
C18H22O2
Molar mass
270.37 g/mol
Exact mass
270.1620 Da
Melting point
185–188 °C
logP
4.79Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
84-16-2
SMILES
CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1
InChIKey
PBBGSZCBWVPOOL-HDICACEKNA-N
InChI
InChI=1/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+

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Names and synonyms

24 names · show all
  • Phenol, 4,4′-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis-, rel-
  • Phenol, 4,4′-(1,2-diethylethylene)di-, meso-
  • Phenol, 4,4′-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)-
  • Rel-4,4′-[(1R,2S)-1,2-Diethyl-1,2-ethanediyl]bis[phenol]
  • meso-3,4-Bis(p-hydroxyphenyl)-n-hexane
  • Cycloestrol
  • meso-3,4-Di(p-hydroxyphenyl)-n-hexane
  • Extra-plex
  • Hexanoestrol
  • meso-Hexestrol
  • Hormoestrol
  • Synthovo
  • Syntrogene
  • Sinestrol
  • Estrifar
  • Estronal
  • Hexestrofen
  • Hexoestrol
  • Synestrol
  • Synoestrol
  • Mesohexestrol
  • Hexron
  • Erythrohexestrol
  • NSC 9894

Work with Hexestrol

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-sec-Butylphenol99-71-863 % similar 4,4′,4′′-Methylidynetris[phenol]603-44-150 % similar 4-Isopropylphenol99-89-850 % similar Synephrine582-84-347 % similar Synephrine94-07-547 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-846 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-645 % similar 4-Cyclohexylphenol1131-60-845 % 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 4,4′-(1,3-Dimethylbutylidene)bis[phenol]6807-17-6 Dicumyl peroxide80-43-3

Elsewhere

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