3-(2,3-dichlorophenyl)-5-fluorophenol

C12H7Cl2FO — CID 53219615

IUPAC3-(2,3-dichlorophenyl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H7Cl2FO/c13-11-3-1-2-10(12(11)14)7-4-8(15)6-9(16)5-7/h1-6,16H
InChIKeySZLHMSODJYRLIR-UHFFFAOYSA-N
MW257.09 g/mol
LogP4.51
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-5-fluorophenol

3-(2,3-dichlorophenyl)-5-fluorophenol (PubChem CID 53219615) has the molecular formula C12H7Cl2FO and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-5-fluorophenol.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-5-fluorophenol
PubChem CID53219615
Molecular FormulaC12H7Cl2FO
Molecular Weight257.09 g/mol
Exact Mass255.99
IUPAC Name3-(2,3-dichlorophenyl)-5-fluorophenol
SMILESOc1cc(F)cc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C12H7Cl2FO/c13-11-3-1-2-10(12(11)14)7-4-8(15)6-9(16)5-7/h1-6,16H
InChIKeySZLHMSODJYRLIR-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-5-fluorophenol?
The IUPAC name of 3-(2,3-dichlorophenyl)-5-fluorophenol (CID 53219615) is 3-(2,3-dichlorophenyl)-5-fluorophenol.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-5-fluorophenol?
The canonical SMILES for 3-(2,3-dichlorophenyl)-5-fluorophenol is Oc1cc(F)cc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-5-fluorophenol?
The InChIKey is SZLHMSODJYRLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FO/c13-11-3-1-2-10(12(11)14)7-4-8(15)6-9(16)5-7/h1-6,16H.
What are the key properties of 3-(2,3-dichlorophenyl)-5-fluorophenol?
3-(2,3-dichlorophenyl)-5-fluorophenol has a molecular weight of 257.09 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-5-fluorophenol is sourced from PubChem (CID 53219615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).