3-bromo-4-chlorophenol

C6H4BrClO — CID 11564714

IUPAC3-bromo-4-chlorophenol
SMILESOc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKeyJLFFHIKASCUQRL-UHFFFAOYSA-N
MW207.45 g/mol
LogP2.81
Rot. Bonds

About 3-bromo-4-chlorophenol

3-bromo-4-chlorophenol (PubChem CID 11564714) has the molecular formula C6H4BrClO and a molecular weight of 207.45 g/mol. Its IUPAC name is 3-bromo-4-chlorophenol.

Molecular Properties

Compound Name3-bromo-4-chlorophenol
PubChem CID11564714
Molecular FormulaC6H4BrClO
Molecular Weight207.45 g/mol
Exact Mass205.91
IUPAC Name3-bromo-4-chlorophenol
SMILESOc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKeyJLFFHIKASCUQRL-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chlorophenol?
The IUPAC name of 3-bromo-4-chlorophenol (CID 11564714) is 3-bromo-4-chlorophenol.
What is the SMILES notation for 3-bromo-4-chlorophenol?
The canonical SMILES for 3-bromo-4-chlorophenol is Oc1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chlorophenol?
The InChIKey is JLFFHIKASCUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H.
What are the key properties of 3-bromo-4-chlorophenol?
3-bromo-4-chlorophenol has a molecular weight of 207.45 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chlorophenol is sourced from PubChem (CID 11564714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).