5-fluoro-2-phenoxyphenol

C12H9FO2 — CID 5271321

IUPAC5-fluoro-2-phenoxyphenol
SMILESOc1cc(F)ccc1Oc1ccccc1
InChIInChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
InChIKeyDEMPPYSGPXLMNG-UHFFFAOYSA-N
MW204.20 g/mol
LogP3.32
Rot. Bonds2

About 5-fluoro-2-phenoxyphenol

5-fluoro-2-phenoxyphenol (PubChem CID 5271321) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 5-fluoro-2-phenoxyphenol.

Molecular Properties

Compound Name5-fluoro-2-phenoxyphenol
PubChem CID5271321
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name5-fluoro-2-phenoxyphenol
SMILESOc1cc(F)ccc1Oc1ccccc1
InChIInChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H
InChIKeyDEMPPYSGPXLMNG-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenoxyphenol?
The IUPAC name of 5-fluoro-2-phenoxyphenol (CID 5271321) is 5-fluoro-2-phenoxyphenol.
What is the SMILES notation for 5-fluoro-2-phenoxyphenol?
The canonical SMILES for 5-fluoro-2-phenoxyphenol is Oc1cc(F)ccc1Oc1ccccc1.
What is the InChIKey of 5-fluoro-2-phenoxyphenol?
The InChIKey is DEMPPYSGPXLMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,14H.
What are the key properties of 5-fluoro-2-phenoxyphenol?
5-fluoro-2-phenoxyphenol has a molecular weight of 204.20 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenoxyphenol is sourced from PubChem (CID 5271321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).