Chemical Components in the PDB

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FPL : Summary

Code

FPL

One-letter code

X

Molecule name

5-fluoro-2-phenoxyphenol

Systematic names

ProgramVersionName
ACDLabs 12.01 5-fluoro-2-phenoxyphenol
OpenEye OEToolkits 1.7.6 5-fluoranyl-2-phenoxy-phenol

Formula

C12 H9 F O2

Formal charge

0

Molecular weight

204.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc2ccc(Oc1ccccc1)c(O)c2
SMILES CACTVS 3.370 Oc1cc(F)ccc1Oc2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Oc2ccc(cc2O)F
Canonical SMILES CACTVS 3.370 Oc1cc(F)ccc1Oc2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)Oc2ccc(cc2O)F

IUPAC InChI

InChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H

IUPAC InChI key

DEMPPYSGPXLMNG-UHFFFAOYSA-N
FPL

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-15

Last modified at

2013-05-31

Status

Released

Obsoleted

Not Assigned