General Information of the Compound
| Compound ID |
CP0659112
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenol
Show/Hide
|
||||||||||||||||||
| Synonyms |
3,4-Bis(p-hydroxyphenyl)hexane
4,4'-(1,2-Diethylethylene)diphenol
4,4'-(hexane-3,4-diyl)diphenol
5635-50-7
CHEBI:31669
Cycloestrol
Dihydrodiethylstilbestrol
EINECS 227-082-2
Esestrolo [DCIT]
Exestrol
HEXESTROL
Hexane, 3,4-bis(4-hydroxyphenyl)-
Hexanestrol
Hexestrol [INN]
Hexestrolum [INN-Latin]
Hexoestrolum
Hormoestrol
PBBGSZCBWVPOOL-UHFFFAOYSA-N
Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-
Phenol, 4,4'-(1,2-diethylethylene)di-
Stilbestrol, dihydro-
Synoestrolum
Synthovo
Syntrogene
Vitestrol
hexestrol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22O2
|
||||||||||||||||||
| Molecular Weight |
270.372
|
||||||||||||||||||
| Canonical SMILES |
CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/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
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBBGSZCBWVPOOL-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
5635-50-7
84-16-2
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound