3-(4-fluorophenoxy)phenol

C12H9FO2 — CID 23227624

IUPAC3-(4-fluorophenoxy)phenol
SMILESOc1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C12H9FO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,14H
InChIKeyKJRDLLHRSNOCLG-UHFFFAOYSA-N
MW204.20 g/mol
LogP3.32
Rot. Bonds2

About 3-(4-fluorophenoxy)phenol

3-(4-fluorophenoxy)phenol (PubChem CID 23227624) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)phenol.

Molecular Properties

Compound Name3-(4-fluorophenoxy)phenol
PubChem CID23227624
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name3-(4-fluorophenoxy)phenol
SMILESOc1cccc(Oc2ccc(F)cc2)c1
InChIInChI=1S/C12H9FO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,14H
InChIKeyKJRDLLHRSNOCLG-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 3-(4-fluorophenoxy)phenol?
The IUPAC name of 3-(4-fluorophenoxy)phenol (CID 23227624) is 3-(4-fluorophenoxy)phenol.
What is the SMILES notation for 3-(4-fluorophenoxy)phenol?
The canonical SMILES for 3-(4-fluorophenoxy)phenol is Oc1cccc(Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenoxy)phenol?
The InChIKey is KJRDLLHRSNOCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8,14H.
What are the key properties of 3-(4-fluorophenoxy)phenol?
3-(4-fluorophenoxy)phenol 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 3-(4-fluorophenoxy)phenol is sourced from PubChem (CID 23227624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).