1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene

C12H5Br5O — CID 86208553

IUPAC1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
SMILESBrc1ccc(Oc2cc(Br)c(Br)c(Br)c2)c(Br)c1
InChIInChI=1S/C12H5Br5O/c13-6-1-2-11(8(14)3-6)18-7-4-9(15)12(17)10(16)5-7/h1-5H
InChIKeySBKMUEQNZNDYFW-UHFFFAOYSA-N
MW564.69 g/mol
LogP7.29
Rot. Bonds2

About 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene

1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene (PubChem CID 86208553) has the molecular formula C12H5Br5O and a molecular weight of 564.69 g/mol. Its IUPAC name is 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene.

Molecular Properties

Compound Name1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
PubChem CID86208553
Molecular FormulaC12H5Br5O
Molecular Weight564.69 g/mol
Exact Mass559.63
IUPAC Name1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
SMILESBrc1ccc(Oc2cc(Br)c(Br)c(Br)c2)c(Br)c1
InChIInChI=1S/C12H5Br5O/c13-6-1-2-11(8(14)3-6)18-7-4-9(15)12(17)10(16)5-7/h1-5H
InChIKeySBKMUEQNZNDYFW-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453
2-bromo-5-(2,4-dibromophenoxy)phenol
CID 11015373
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
3,5-dibromo-2-(2,4-dibromophenoxy)benzene-1,4-diol
CID 102140384
3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735
1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
CID 15884894
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
1-[4-(2,4-dibromophenoxy)phenyl]-N-methylmethanamine
CID 64720895
2,4-dibromo-3-(2,4-dibromophenoxy)phenol
CID 139597677
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene?
The IUPAC name of 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene (CID 86208553) is 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene.
What is the SMILES notation for 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene?
The canonical SMILES for 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene is Brc1ccc(Oc2cc(Br)c(Br)c(Br)c2)c(Br)c1.
What is the InChIKey of 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene?
The InChIKey is SBKMUEQNZNDYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br5O/c13-6-1-2-11(8(14)3-6)18-7-4-9(15)12(17)10(16)5-7/h1-5H.
What are the key properties of 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene?
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene has a molecular weight of 564.69 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene is sourced from PubChem (CID 86208553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).