General Information of the Compound
| Compound ID |
CP0044878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-hex-5-yn-1-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
1-(3,5-di-tert-butyl-4-hydroxyphenyl)hex-5-yn-1-one
1-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-yn-1-one
112018-00-5
3',5'-Di-tert-butyl-4'-hydroxy-5-hexynophenone
5-Hexyn-1-one, 1-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
5-Hexyn-1-one, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-
AC1L1TG2
AC1Q5DB7
CHEMBL13878
NE 11740
NE-11740
O048K9ZFHO
SCHEMBL43674
TEBUFELONE
Tebufelona
Tebufelona [INN-Spanish]
Tebufelone
Tebufelone (USAN/INN)
Tebufelone [USAN:INN]
Tebufelonum
Tebufelonum [INN-Latin]
UNII-O048K9ZFHO
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H28O2
|
||||||||||||||||||
| Molecular Weight |
300.442
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=O)CCCC#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H28O2/c1-8-9-10-11-17(21)14-12-15(19(2,3)4)18(22)16(13-14)20(5,6)7/h1,12-13,22H,9-11H2,2-7H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHXUEUKVDMWSKV-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
112018-00-5
|
||||||||||||||||||
| 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
Clinical Information about the Compound