2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene

C15H13Br3O2 — CID 59330867

IUPAC2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene
SMILESBrc1ccc(OCCCOc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C15H13Br3O2/c16-11-2-5-13(6-3-11)19-8-1-9-20-15-7-4-12(17)10-14(15)18/h2-7,10H,1,8-9H2
InChIKeySSBJQBDPLXVRKA-UHFFFAOYSA-N
MW464.98 g/mol
LogP5.82
Rot. Bonds6

About 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene

2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene (PubChem CID 59330867) has the molecular formula C15H13Br3O2 and a molecular weight of 464.98 g/mol. Its IUPAC name is 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene
PubChem CID59330867
Molecular FormulaC15H13Br3O2
Molecular Weight464.98 g/mol
Exact Mass461.85
IUPAC Name2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene
SMILESBrc1ccc(OCCCOc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C15H13Br3O2/c16-11-2-5-13(6-3-11)19-8-1-9-20-15-7-4-12(17)10-14(15)18/h2-7,10H,1,8-9H2
InChIKeySSBJQBDPLXVRKA-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.98
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
CID 59330882
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
2,4-dibromo-1-heptoxybenzene
CID 101293515
2,4-dibromo-1-octoxybenzene
CID 101293529
1,3-dibromo-5-[3-(4-bromophenoxy)propoxy]benzene
CID 59330896
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
(2,4-dibromophenyl) 4-butoxybenzoate
CID 23011527
[4-[3-(2-bromo-4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43531037
[5-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62935735
6-(2,4-dibromophenoxy)hexan-3-one
CID 106802046
methyl 4-(2,4-dibromophenoxy)butanoate
CID 43378226

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene?
The IUPAC name of 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene (CID 59330867) is 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene.
What is the SMILES notation for 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene?
The canonical SMILES for 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene is Brc1ccc(OCCCOc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene?
The InChIKey is SSBJQBDPLXVRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3O2/c16-11-2-5-13(6-3-11)19-8-1-9-20-15-7-4-12(17)10-14(15)18/h2-7,10H,1,8-9H2.
What are the key properties of 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene?
2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene has a molecular weight of 464.98 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[3-(4-bromophenoxy)propoxy]benzene is sourced from PubChem (CID 59330867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).