1,3,5-tris(4-bromophenoxy)benzene

C24H15Br3O3 — CID 102025054

IUPAC1,3,5-tris(4-bromophenoxy)benzene
SMILESBrc1ccc(Oc2cc(Oc3ccc(Br)cc3)cc(Oc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H15Br3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H
InChIKeyXTGUKVQAALXTLO-UHFFFAOYSA-N
MW591.09 g/mol
LogP9.35
Rot. Bonds6

About 1,3,5-tris(4-bromophenoxy)benzene

1,3,5-tris(4-bromophenoxy)benzene (PubChem CID 102025054) has the molecular formula C24H15Br3O3 and a molecular weight of 591.09 g/mol. Its IUPAC name is 1,3,5-tris(4-bromophenoxy)benzene.

Molecular Properties

Compound Name1,3,5-tris(4-bromophenoxy)benzene
PubChem CID102025054
Molecular FormulaC24H15Br3O3
Molecular Weight591.09 g/mol
Exact Mass587.86
IUPAC Name1,3,5-tris(4-bromophenoxy)benzene
SMILESBrc1ccc(Oc2cc(Oc3ccc(Br)cc3)cc(Oc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C24H15Br3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H
InChIKeyXTGUKVQAALXTLO-UHFFFAOYSA-N
XLogP9.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.09
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-(4-bromophenoxy)benzene
CID 16305
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
3-bromo-5-(4-bromophenoxy)benzoic acid
CID 102823551
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
4-[3,5-bis(4-sulfanylphenoxy)phenoxy]benzenethiol
CID 153347522
1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521001
5-(4-bromophenoxy)-2-chloropyrimidine
CID 117224632
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
(4-bromophenyl) hypochlorite
CID 141436103
1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
CID 29052620
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(4-bromophenoxy)benzene?
The IUPAC name of 1,3,5-tris(4-bromophenoxy)benzene (CID 102025054) is 1,3,5-tris(4-bromophenoxy)benzene.
What is the SMILES notation for 1,3,5-tris(4-bromophenoxy)benzene?
The canonical SMILES for 1,3,5-tris(4-bromophenoxy)benzene is Brc1ccc(Oc2cc(Oc3ccc(Br)cc3)cc(Oc3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 1,3,5-tris(4-bromophenoxy)benzene?
The InChIKey is XTGUKVQAALXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Br3O3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15H.
What are the key properties of 1,3,5-tris(4-bromophenoxy)benzene?
1,3,5-tris(4-bromophenoxy)benzene has a molecular weight of 591.09 g/mol, XLogP of 9.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(4-bromophenoxy)benzene is sourced from PubChem (CID 102025054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).