4-fluorophenol

C6H5FO — CID 9732

IUPAC4-fluorophenol
SMILESOc1ccc(F)cc1
InChIInChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyRHMPLDJJXGPMEX-UHFFFAOYSA-N
MW112.10 g/mol
LogP1.53
Rot. Bonds

About 4-fluorophenol

4-fluorophenol (PubChem CID 9732) has the molecular formula C6H5FO and a molecular weight of 112.10 g/mol. Its IUPAC name is 4-fluorophenol.

Molecular Properties

Compound Name4-fluorophenol
PubChem CID9732
Molecular FormulaC6H5FO
Molecular Weight112.10 g/mol
Exact Mass112.03
IUPAC Name4-fluorophenol
SMILESOc1ccc(F)cc1
InChIInChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKeyRHMPLDJJXGPMEX-UHFFFAOYSA-N
XLogP1.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.10
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
Catechol
CID 289
Resorcinol
CID 5054
Phenolate Sodium
CID 4445035
Nitrophenols
CID 88473196
4-Iodophenol
CID 10894
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
2,4,6-Triiodophenol
CID 11862
Mercufenol Chloride
CID 6999
Sodium phenoxide
CID 66602278

Frequently Asked Questions

What is the IUPAC name of 4-fluorophenol?
The IUPAC name of 4-fluorophenol (CID 9732) is 4-fluorophenol.
What is the SMILES notation for 4-fluorophenol?
The canonical SMILES for 4-fluorophenol is Oc1ccc(F)cc1.
What is the InChIKey of 4-fluorophenol?
The InChIKey is RHMPLDJJXGPMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H.
What are the key properties of 4-fluorophenol?
4-fluorophenol has a molecular weight of 112.10 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorophenol is sourced from PubChem (CID 9732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).