2,6-dibromo-3-phenoxyphenol

C12H8Br2O2 — CID 102457047

IUPAC2,6-dibromo-3-phenoxyphenol
SMILESOc1c(Br)ccc(Oc2ccccc2)c1Br
InChIInChI=1S/C12H8Br2O2/c13-9-6-7-10(11(14)12(9)15)16-8-4-2-1-3-5-8/h1-7,15H
InChIKeyXZHOTLYUONGERP-UHFFFAOYSA-N
MW344.00 g/mol
LogP4.71
Rot. Bonds2

About 2,6-dibromo-3-phenoxyphenol

2,6-dibromo-3-phenoxyphenol (PubChem CID 102457047) has the molecular formula C12H8Br2O2 and a molecular weight of 344.00 g/mol. Its IUPAC name is 2,6-dibromo-3-phenoxyphenol.

Molecular Properties

Compound Name2,6-dibromo-3-phenoxyphenol
PubChem CID102457047
Molecular FormulaC12H8Br2O2
Molecular Weight344.00 g/mol
Exact Mass341.89
IUPAC Name2,6-dibromo-3-phenoxyphenol
SMILESOc1c(Br)ccc(Oc2ccccc2)c1Br
InChIInChI=1S/C12H8Br2O2/c13-9-6-7-10(11(14)12(9)15)16-8-4-2-1-3-5-8/h1-7,15H
InChIKeyXZHOTLYUONGERP-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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Related Compounds

5-bromo-3-phenoxybenzene-1,2-diol
CID 122706591
1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
4,6-diphenoxybenzene-1,3-diol
CID 90212443
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
2-bromo-6-chloro-4-phenoxyphenol
CID 164893883
2-amino-4-bromo-3-phenoxyphenol
CID 118093778
3-bromo-N'-hydroxy-4-phenoxybenzenecarboximidamide
CID 82799401
(3-bromo-4-phenoxyphenyl)methanamine
CID 82797010
3-phenoxybenzene-1,2-diol;4-phenoxybenzene-1,3-diol
CID 70468800
4-hydroxy-3,5-diphenoxybenzaldehyde
CID 101190258
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586
2-bromo-4-methyl-6-(4-methylphenoxy)phenol
CID 101049595

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-phenoxyphenol?
The IUPAC name of 2,6-dibromo-3-phenoxyphenol (CID 102457047) is 2,6-dibromo-3-phenoxyphenol.
What is the SMILES notation for 2,6-dibromo-3-phenoxyphenol?
The canonical SMILES for 2,6-dibromo-3-phenoxyphenol is Oc1c(Br)ccc(Oc2ccccc2)c1Br.
What is the InChIKey of 2,6-dibromo-3-phenoxyphenol?
The InChIKey is XZHOTLYUONGERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O2/c13-9-6-7-10(11(14)12(9)15)16-8-4-2-1-3-5-8/h1-7,15H.
What are the key properties of 2,6-dibromo-3-phenoxyphenol?
2,6-dibromo-3-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-3-phenoxyphenol is sourced from PubChem (CID 102457047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).