4-(3-chlorophenyl)-3-fluorophenol

C12H8ClFO — CID 53219360

IUPAC4-(3-chlorophenyl)-3-fluorophenol
SMILESOc1ccc(-c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C12H8ClFO/c13-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)14/h1-7,15H
InChIKeyDQJKGKGGGSFYGT-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.85
Rot. Bonds1

About 4-(3-chlorophenyl)-3-fluorophenol

4-(3-chlorophenyl)-3-fluorophenol (PubChem CID 53219360) has the molecular formula C12H8ClFO and a molecular weight of 222.65 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-fluorophenol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-fluorophenol
PubChem CID53219360
Molecular FormulaC12H8ClFO
Molecular Weight222.65 g/mol
Exact Mass222.02
IUPAC Name4-(3-chlorophenyl)-3-fluorophenol
SMILESOc1ccc(-c2cccc(Cl)c2)c(F)c1
InChIInChI=1S/C12H8ClFO/c13-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)14/h1-7,15H
InChIKeyDQJKGKGGGSFYGT-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-fluorophenol?
The IUPAC name of 4-(3-chlorophenyl)-3-fluorophenol (CID 53219360) is 4-(3-chlorophenyl)-3-fluorophenol.
What is the SMILES notation for 4-(3-chlorophenyl)-3-fluorophenol?
The canonical SMILES for 4-(3-chlorophenyl)-3-fluorophenol is Oc1ccc(-c2cccc(Cl)c2)c(F)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-fluorophenol?
The InChIKey is DQJKGKGGGSFYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO/c13-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)14/h1-7,15H.
What are the key properties of 4-(3-chlorophenyl)-3-fluorophenol?
4-(3-chlorophenyl)-3-fluorophenol has a molecular weight of 222.65 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-fluorophenol is sourced from PubChem (CID 53219360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).