2-bromo-6-chlorophenol

C6H4BrClO — CID 16268

IUPAC2-bromo-6-chlorophenol
SMILESOc1c(Cl)cccc1Br
InChIInChI=1S/C6H4BrClO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKeyLUECOFFMVWPWDR-UHFFFAOYSA-N
MW207.45 g/mol
LogP2.81
Rot. Bonds

About 2-bromo-6-chlorophenol

2-bromo-6-chlorophenol (PubChem CID 16268) has the molecular formula C6H4BrClO and a molecular weight of 207.45 g/mol. Its IUPAC name is 2-bromo-6-chlorophenol.

Molecular Properties

Compound Name2-bromo-6-chlorophenol
PubChem CID16268
Molecular FormulaC6H4BrClO
Molecular Weight207.45 g/mol
Exact Mass205.91
IUPAC Name2-bromo-6-chlorophenol
SMILESOc1c(Cl)cccc1Br
InChIInChI=1S/C6H4BrClO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKeyLUECOFFMVWPWDR-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 2-bromo-6-chlorophenol?
The IUPAC name of 2-bromo-6-chlorophenol (CID 16268) is 2-bromo-6-chlorophenol.
What is the SMILES notation for 2-bromo-6-chlorophenol?
The canonical SMILES for 2-bromo-6-chlorophenol is Oc1c(Cl)cccc1Br.
What is the InChIKey of 2-bromo-6-chlorophenol?
The InChIKey is LUECOFFMVWPWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H.
What are the key properties of 2-bromo-6-chlorophenol?
2-bromo-6-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 2-bromo-6-chlorophenol is sourced from PubChem (CID 16268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).