3-(4-fluorophenyl)phenol

C12H9FO — CID 14663967

IUPAC3-(4-fluorophenyl)phenol
SMILESOc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H9FO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H
InChIKeyJCZGBYKFVYILAO-UHFFFAOYSA-N
MW188.20 g/mol
LogP3.20
Rot. Bonds1

About 3-(4-fluorophenyl)phenol

3-(4-fluorophenyl)phenol (PubChem CID 14663967) has the molecular formula C12H9FO and a molecular weight of 188.20 g/mol. Its IUPAC name is 3-(4-fluorophenyl)phenol.

Molecular Properties

Compound Name3-(4-fluorophenyl)phenol
PubChem CID14663967
Molecular FormulaC12H9FO
Molecular Weight188.20 g/mol
Exact Mass188.06
IUPAC Name3-(4-fluorophenyl)phenol
SMILESOc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C12H9FO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H
InChIKeyJCZGBYKFVYILAO-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)phenol?
The IUPAC name of 3-(4-fluorophenyl)phenol (CID 14663967) is 3-(4-fluorophenyl)phenol.
What is the SMILES notation for 3-(4-fluorophenyl)phenol?
The canonical SMILES for 3-(4-fluorophenyl)phenol is Oc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)phenol?
The InChIKey is JCZGBYKFVYILAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10/h1-8,14H.
What are the key properties of 3-(4-fluorophenyl)phenol?
3-(4-fluorophenyl)phenol has a molecular weight of 188.20 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)phenol is sourced from PubChem (CID 14663967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).