JZ4

2-propylphenol

Created:	2009-06-16
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where JZ4 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of JZ4

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-propylphenol
Systematic Name (OpenEye OEToolkits)	2-propylphenol
Formula	C₉ H₁₂ O
Molecular Weight	136.191
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CCCc1ccccc1O
SMILES	OpenEye OEToolkits	1.7.0	CCCc1ccccc1O
Canonical SMILES	CACTVS	3.352	CCCc1ccccc1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CCCc1ccccc1O
InChI	InChI	1.03	InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChIKey	InChI	1.03	LCHYEKKJCUJAKN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12570
ChEMBL	CHEMBL225569
ChEBI	CHEBI:147331

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.