General Information of the Compound
| Compound ID |
CP0962225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((2-tert-butyl-5-methylphenoxy)methyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22O3
|
||||||||||||||||||
| Molecular Weight |
298.382
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(C)(C)C)c(OCc2cccc(C(=O)O)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22O3/c1-13-8-9-16(19(2,3)4)17(10-13)22-12-14-6-5-7-15(11-14)18(20)21/h5-11H,12H2,1-4H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVIOXCHPWOASIA-UHFFFAOYSA-N
|
||||||||||||||||||
| 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