![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
2OH : Summary
Code ![](/pdbe/static/images/help.png)
|
2OH
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4,4'-PROPANE-2,2-DIYLDIPHENOL
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C15 H16 O2
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
228.286 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C |
SMILES
|
CACTVS |
3.341 |
CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O |
Canonical SMILES
|
CACTVS |
3.341 |
CC(C)(c1ccc(O)cc1)c2ccc(O)cc2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | IISBACLAFKSPIT-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
33 (17 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2006-11-20
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-05-26
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|