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

C12H5Br5O — CID 86208551

IUPAC1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene
SMILESBrc1cc(Br)cc(Oc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C12H5Br5O/c13-6-1-7(14)3-9(2-6)18-12-10(16)4-8(15)5-11(12)17/h1-5H
InChIKeyGVGNVZBJVFDAAO-UHFFFAOYSA-N
MW564.69 g/mol
LogP7.29
Rot. Bonds2

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

1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene (PubChem CID 86208551) has the molecular formula C12H5Br5O and a molecular weight of 564.69 g/mol. Its IUPAC name is 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene
PubChem CID86208551
Molecular FormulaC12H5Br5O
Molecular Weight564.69 g/mol
Exact Mass559.63
IUPAC Name1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene
SMILESBrc1cc(Br)cc(Oc2c(Br)cc(Br)cc2Br)c1
InChIInChI=1S/C12H5Br5O/c13-6-1-7(14)3-9(2-6)18-12-10(16)4-8(15)5-11(12)17/h1-5H
InChIKeyGVGNVZBJVFDAAO-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

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Related Compounds

2,6-dibromo-4-[2,6-dibromo-4-(2,4,6-tribromophenoxy)phenoxy]phenol
CID 58201830
1,2,3,4-tetrabromo-5-(3,5-dibromophenoxy)benzene
CID 86208464
2,5-dibromo-4-(2,4,6-tribromophenoxy)phenol
CID 102420969
2,4-dibromo-6-(2,6-dibromophenoxy)phenol
CID 125360388
1,3,5-tribromo-2-(cyclopenten-1-yloxy)benzene
CID 56623073
2-(3-bromo-5-fluorophenoxy)-5-(bromomethyl)-1,3-difluorobenzene
CID 107088900
1,3,5-tribromo-2-[1-(2,4,6-tribromophenoxy)ethenoxy]benzene
CID 138377093
(2,4,6-tribromophenyl) 3,5-dibromobenzoate
CID 19911714
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
CID 11978812
4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
1,3,5-tribromo-2-(3-bromophenoxy)-4-fluorobenzene
CID 87997312

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene?
The IUPAC name of 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene (CID 86208551) is 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene.
What is the SMILES notation for 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene?
The canonical SMILES for 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene is Brc1cc(Br)cc(Oc2c(Br)cc(Br)cc2Br)c1.
What is the InChIKey of 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene?
The InChIKey is GVGNVZBJVFDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Br5O/c13-6-1-7(14)3-9(2-6)18-12-10(16)4-8(15)5-11(12)17/h1-5H.
What are the key properties of 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene?
1,3,5-tribromo-2-(3,5-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 1,3,5-tribromo-2-(3,5-dibromophenoxy)benzene is sourced from PubChem (CID 86208551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).