3-chloro-4-(4-fluorophenyl)phenol

C12H8ClFO — CID 46314342

IUPAC3-chloro-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C12H8ClFO/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,15H
InChIKeyVMQAIQKCVCPKEG-UHFFFAOYSA-N
MW222.65 g/mol
LogP3.85
Rot. Bonds1

About 3-chloro-4-(4-fluorophenyl)phenol

3-chloro-4-(4-fluorophenyl)phenol (PubChem CID 46314342) has the molecular formula C12H8ClFO and a molecular weight of 222.65 g/mol. Its IUPAC name is 3-chloro-4-(4-fluorophenyl)phenol.

Molecular Properties

Compound Name3-chloro-4-(4-fluorophenyl)phenol
PubChem CID46314342
Molecular FormulaC12H8ClFO
Molecular Weight222.65 g/mol
Exact Mass222.02
IUPAC Name3-chloro-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C12H8ClFO/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,15H
InChIKeyVMQAIQKCVCPKEG-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 3-chloro-4-(4-fluorophenyl)phenol?
The IUPAC name of 3-chloro-4-(4-fluorophenyl)phenol (CID 46314342) is 3-chloro-4-(4-fluorophenyl)phenol.
What is the SMILES notation for 3-chloro-4-(4-fluorophenyl)phenol?
The canonical SMILES for 3-chloro-4-(4-fluorophenyl)phenol is Oc1ccc(-c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(4-fluorophenyl)phenol?
The InChIKey is VMQAIQKCVCPKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO/c13-12-7-10(15)5-6-11(12)8-1-3-9(14)4-2-8/h1-7,15H.
What are the key properties of 3-chloro-4-(4-fluorophenyl)phenol?
3-chloro-4-(4-fluorophenyl)phenol 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 3-chloro-4-(4-fluorophenyl)phenol is sourced from PubChem (CID 46314342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).