1,4-dibromo-2-(2,5-dibromophenoxy)benzene

C12H6Br4O — CID 19792406

IUPAC1,4-dibromo-2-(2,5-dibromophenoxy)benzene
SMILESBrc1ccc(Br)c(Oc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H6Br4O/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6H
InChIKeyCDTHXJORUCZHMD-UHFFFAOYSA-N
MW485.80 g/mol
LogP6.53
Rot. Bonds2

About 1,4-dibromo-2-(2,5-dibromophenoxy)benzene

1,4-dibromo-2-(2,5-dibromophenoxy)benzene (PubChem CID 19792406) has the molecular formula C12H6Br4O and a molecular weight of 485.80 g/mol. Its IUPAC name is 1,4-dibromo-2-(2,5-dibromophenoxy)benzene.

Molecular Properties

Compound Name1,4-dibromo-2-(2,5-dibromophenoxy)benzene
PubChem CID19792406
Molecular FormulaC12H6Br4O
Molecular Weight485.80 g/mol
Exact Mass481.72
IUPAC Name1,4-dibromo-2-(2,5-dibromophenoxy)benzene
SMILESBrc1ccc(Br)c(Oc2cc(Br)ccc2Br)c1
InChIInChI=1S/C12H6Br4O/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6H
InChIKeyCDTHXJORUCZHMD-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4-dibromo-2-(2,5-dibromophenoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
1,2,3,4,5-pentabromo-6-(2,5-dibromophenoxy)benzene
CID 71362095
1,2,3,5-tetrabromo-4-(2,5-dibromophenoxy)benzene
CID 86208455
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
1,4-dibromo-2-butoxybenzene
CID 69260452
1-bromo-2-[5-bromo-2-(chloromethyl)phenoxy]-4-nitrobenzene
CID 103010930
1-[4-bromo-2-(2-bromo-5-nitrophenoxy)phenyl]ethanol
CID 103010874
(2,5-dibromophenyl) 2-chloroacetate
CID 122539584
1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
CID 15884894
1-[4-bromo-2-(2-bromophenoxy)phenyl]ethanol
CID 82971318

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-(2,5-dibromophenoxy)benzene?
The IUPAC name of 1,4-dibromo-2-(2,5-dibromophenoxy)benzene (CID 19792406) is 1,4-dibromo-2-(2,5-dibromophenoxy)benzene.
What is the SMILES notation for 1,4-dibromo-2-(2,5-dibromophenoxy)benzene?
The canonical SMILES for 1,4-dibromo-2-(2,5-dibromophenoxy)benzene is Brc1ccc(Br)c(Oc2cc(Br)ccc2Br)c1.
What is the InChIKey of 1,4-dibromo-2-(2,5-dibromophenoxy)benzene?
The InChIKey is CDTHXJORUCZHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4O/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16/h1-6H.
What are the key properties of 1,4-dibromo-2-(2,5-dibromophenoxy)benzene?
1,4-dibromo-2-(2,5-dibromophenoxy)benzene has a molecular weight of 485.80 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-(2,5-dibromophenoxy)benzene is sourced from PubChem (CID 19792406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).