2,6-dibromo-4-phenoxyphenol

C12H8Br2O2 — CID 10831270

IUPAC2,6-dibromo-4-phenoxyphenol
SMILESOc1c(Br)cc(Oc2ccccc2)cc1Br
InChIInChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H
InChIKeyCRSZEDOZGJPOHP-UHFFFAOYSA-N
MW344.00 g/mol
LogP4.71
Rot. Bonds2

About 2,6-dibromo-4-phenoxyphenol

2,6-dibromo-4-phenoxyphenol (PubChem CID 10831270) has the molecular formula C12H8Br2O2 and a molecular weight of 344.00 g/mol. Its IUPAC name is 2,6-dibromo-4-phenoxyphenol.

Molecular Properties

Compound Name2,6-dibromo-4-phenoxyphenol
PubChem CID10831270
Molecular FormulaC12H8Br2O2
Molecular Weight344.00 g/mol
Exact Mass341.89
IUPAC Name2,6-dibromo-4-phenoxyphenol
SMILESOc1c(Br)cc(Oc2ccccc2)cc1Br
InChIInChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H
InChIKeyCRSZEDOZGJPOHP-UHFFFAOYSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.00
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-phenoxyphenol?
The IUPAC name of 2,6-dibromo-4-phenoxyphenol (CID 10831270) is 2,6-dibromo-4-phenoxyphenol.
What is the SMILES notation for 2,6-dibromo-4-phenoxyphenol?
The canonical SMILES for 2,6-dibromo-4-phenoxyphenol is Oc1c(Br)cc(Oc2ccccc2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-phenoxyphenol?
The InChIKey is CRSZEDOZGJPOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O2/c13-10-6-9(7-11(14)12(10)15)16-8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 2,6-dibromo-4-phenoxyphenol?
2,6-dibromo-4-phenoxyphenol has a molecular weight of 344.00 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-phenoxyphenol is sourced from PubChem (CID 10831270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).