5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol

C12H6F4O3 — CID 171771382

IUPAC5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol
SMILESOc1cc(O)cc(Oc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H6F4O3/c13-8-4-9(14)11(16)12(10(8)15)19-7-2-5(17)1-6(18)3-7/h1-4,17-18H
InChIKeyZLQOCLBOBYLYES-UHFFFAOYSA-N
MW274.17 g/mol
LogP3.45
Rot. Bonds2

About 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol

5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol (PubChem CID 171771382) has the molecular formula C12H6F4O3 and a molecular weight of 274.17 g/mol. Its IUPAC name is 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol.

Molecular Properties

Compound Name5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol
PubChem CID171771382
Molecular FormulaC12H6F4O3
Molecular Weight274.17 g/mol
Exact Mass274.03
IUPAC Name5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol
SMILESOc1cc(O)cc(Oc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H6F4O3/c13-8-4-9(14)11(16)12(10(8)15)19-7-2-5(17)1-6(18)3-7/h1-4,17-18H
InChIKeyZLQOCLBOBYLYES-UHFFFAOYSA-N
XLogP3.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol?
The IUPAC name of 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol (CID 171771382) is 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol.
What is the SMILES notation for 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol?
The canonical SMILES for 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol is Oc1cc(O)cc(Oc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol?
The InChIKey is ZLQOCLBOBYLYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4O3/c13-8-4-9(14)11(16)12(10(8)15)19-7-2-5(17)1-6(18)3-7/h1-4,17-18H.
What are the key properties of 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol?
5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol has a molecular weight of 274.17 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,5,6-tetrafluorophenoxy)benzene-1,3-diol is sourced from PubChem (CID 171771382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).