1DJ

(1R)-1-phenylprop-2-yn-1-ol

Created:	2012-12-11
Last modified:	2013-03-27

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1 entries where 1DJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	1
Bond Count	18
Aromatic Bond Count	6

2D diagram of 1DJ

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Chemical Component Summary
Name	(1R)-1-phenylprop-2-yn-1-ol
Systematic Name (OpenEye OEToolkits)	(1R)-1-phenylprop-2-yn-1-ol
Formula	C₉ H₈ O
Molecular Weight	132.159
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(#C)C(O)c1ccccc1
SMILES	CACTVS	3.370	O[CH](C#C)c1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	C#CC(c1ccccc1)O
Canonical SMILES	CACTVS	3.370	O[C@H](C#C)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C#C[C@H](c1ccccc1)O
InChI	InChI	1.03	InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m1/s1
InChIKey	InChI	1.03	UIGLAZDLBZDVBL-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	6993954

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.