QBF

2,6-dimethoxy-4-(3-oxidanylpropyl)phenol

Created:	2022-10-18
Last modified:	2023-10-25

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1 entries where QBF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	6

2D diagram of QBF

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Chemical Component Summary
Name	2,6-dimethoxy-4-(3-oxidanylpropyl)phenol
Synonyms	propanol syringol
Systematic Name (OpenEye OEToolkits)	2,6-dimethoxy-4-(3-oxidanylpropyl)phenol
Formula	C₁₁ H₁₆ O₄
Molecular Weight	212.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(CCCO)cc(OC)c1O
SMILES	OpenEye OEToolkits	3.1.0.0	COc1cc(cc(c1O)OC)CCCO
Canonical SMILES	CACTVS	3.385	COc1cc(CCCO)cc(OC)c1O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	COc1cc(cc(c1O)OC)CCCO
InChI	InChI	1.06	InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
InChIKey	InChI	1.06	PHOPGVYKZWPIGA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	529893
ChEMBL	CHEMBL3793371

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.