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

C12H6Br4O — CID 15509893

IUPAC1,2-dibromo-4-(2,4-dibromophenoxy)benzene
SMILESBrc1ccc(Oc2ccc(Br)c(Br)c2)c(Br)c1
InChIInChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H
InChIKeyDHUMTYRHKMCVAG-UHFFFAOYSA-N
MW485.80 g/mol
LogP6.53
Rot. Bonds2

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

1,2-dibromo-4-(2,4-dibromophenoxy)benzene (PubChem CID 15509893) has the molecular formula C12H6Br4O and a molecular weight of 485.80 g/mol. Its IUPAC name is 1,2-dibromo-4-(2,4-dibromophenoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-4-(2,4-dibromophenoxy)benzene
PubChem CID15509893
Molecular FormulaC12H6Br4O
Molecular Weight485.80 g/mol
Exact Mass481.72
IUPAC Name1,2-dibromo-4-(2,4-dibromophenoxy)benzene
SMILESBrc1ccc(Oc2ccc(Br)c(Br)c2)c(Br)c1
InChIInChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H
InChIKeyDHUMTYRHKMCVAG-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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4-(2,4-dibromophenoxy)benzene?
The IUPAC name of 1,2-dibromo-4-(2,4-dibromophenoxy)benzene (CID 15509893) is 1,2-dibromo-4-(2,4-dibromophenoxy)benzene.
What is the SMILES notation for 1,2-dibromo-4-(2,4-dibromophenoxy)benzene?
The canonical SMILES for 1,2-dibromo-4-(2,4-dibromophenoxy)benzene is Brc1ccc(Oc2ccc(Br)c(Br)c2)c(Br)c1.
What is the InChIKey of 1,2-dibromo-4-(2,4-dibromophenoxy)benzene?
The InChIKey is DHUMTYRHKMCVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br4O/c13-7-1-4-12(11(16)5-7)17-8-2-3-9(14)10(15)6-8/h1-6H.
What are the key properties of 1,2-dibromo-4-(2,4-dibromophenoxy)benzene?
1,2-dibromo-4-(2,4-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 1,2-dibromo-4-(2,4-dibromophenoxy)benzene is sourced from PubChem (CID 15509893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).