2,4-dibromo-1-(2-bromophenoxy)benzene

C12H7Br3O — CID 14274807

IUPAC2,4-dibromo-1-(2-bromophenoxy)benzene
SMILESBrc1ccc(Oc2ccccc2Br)c(Br)c1
InChIInChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H
InChIKeyVYBFILXLBMWOLI-UHFFFAOYSA-N
MW406.90 g/mol
LogP5.77
Rot. Bonds2

About 2,4-dibromo-1-(2-bromophenoxy)benzene

2,4-dibromo-1-(2-bromophenoxy)benzene (PubChem CID 14274807) has the molecular formula C12H7Br3O and a molecular weight of 406.90 g/mol. Its IUPAC name is 2,4-dibromo-1-(2-bromophenoxy)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(2-bromophenoxy)benzene
PubChem CID14274807
Molecular FormulaC12H7Br3O
Molecular Weight406.90 g/mol
Exact Mass403.80
IUPAC Name2,4-dibromo-1-(2-bromophenoxy)benzene
SMILESBrc1ccc(Oc2ccccc2Br)c(Br)c1
InChIInChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H
InChIKeyVYBFILXLBMWOLI-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.90
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(2-bromophenoxy)benzene?
The IUPAC name of 2,4-dibromo-1-(2-bromophenoxy)benzene (CID 14274807) is 2,4-dibromo-1-(2-bromophenoxy)benzene.
What is the SMILES notation for 2,4-dibromo-1-(2-bromophenoxy)benzene?
The canonical SMILES for 2,4-dibromo-1-(2-bromophenoxy)benzene is Brc1ccc(Oc2ccccc2Br)c(Br)c1.
What is the InChIKey of 2,4-dibromo-1-(2-bromophenoxy)benzene?
The InChIKey is VYBFILXLBMWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H.
What are the key properties of 2,4-dibromo-1-(2-bromophenoxy)benzene?
2,4-dibromo-1-(2-bromophenoxy)benzene has a molecular weight of 406.90 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(2-bromophenoxy)benzene is sourced from PubChem (CID 14274807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).