2-(3-bromo-2-fluorophenyl)-6-chlorophenol

C12H7BrClFO — CID 146513328

IUPAC2-(3-bromo-2-fluorophenyl)-6-chlorophenol
SMILESOc1c(Cl)cccc1-c1cccc(Br)c1F
InChIInChI=1S/C12H7BrClFO/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6,16H
InChIKeyIBAZTHNVDIIJCL-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.61
Rot. Bonds1

About 2-(3-bromo-2-fluorophenyl)-6-chlorophenol

2-(3-bromo-2-fluorophenyl)-6-chlorophenol (PubChem CID 146513328) has the molecular formula C12H7BrClFO and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-6-chlorophenol.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-6-chlorophenol
PubChem CID146513328
Molecular FormulaC12H7BrClFO
Molecular Weight301.54 g/mol
Exact Mass299.94
IUPAC Name2-(3-bromo-2-fluorophenyl)-6-chlorophenol
SMILESOc1c(Cl)cccc1-c1cccc(Br)c1F
InChIInChI=1S/C12H7BrClFO/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6,16H
InChIKeyIBAZTHNVDIIJCL-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-6-chlorophenol?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-6-chlorophenol (CID 146513328) is 2-(3-bromo-2-fluorophenyl)-6-chlorophenol.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-6-chlorophenol?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-6-chlorophenol is Oc1c(Cl)cccc1-c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-6-chlorophenol?
The InChIKey is IBAZTHNVDIIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFO/c13-9-5-1-3-7(11(9)15)8-4-2-6-10(14)12(8)16/h1-6,16H.
What are the key properties of 2-(3-bromo-2-fluorophenyl)-6-chlorophenol?
2-(3-bromo-2-fluorophenyl)-6-chlorophenol has a molecular weight of 301.54 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-6-chlorophenol is sourced from PubChem (CID 146513328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).