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

C15H13Br2ClO2 — CID 59330882

IUPAC2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
SMILESClc1ccc(OCCCOc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C15H13Br2ClO2/c16-11-2-7-15(14(17)10-11)20-9-1-8-19-13-5-3-12(18)4-6-13/h2-7,10H,1,8-9H2
InChIKeyHRHIEUXMOHSLHA-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.71
Rot. Bonds6

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

2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene (PubChem CID 59330882) has the molecular formula C15H13Br2ClO2 and a molecular weight of 420.53 g/mol. Its IUPAC name is 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
PubChem CID59330882
Molecular FormulaC15H13Br2ClO2
Molecular Weight420.53 g/mol
Exact Mass417.90
IUPAC Name2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
SMILESClc1ccc(OCCCOc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C15H13Br2ClO2/c16-11-2-7-15(14(17)10-11)20-9-1-8-19-13-5-3-12(18)4-6-13/h2-7,10H,1,8-9H2
InChIKeyHRHIEUXMOHSLHA-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.71
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-bromophenoxy)propoxy]benzene
CID 59330867
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
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
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113
1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459974
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene?
The IUPAC name of 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene (CID 59330882) is 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene.
What is the SMILES notation for 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene?
The canonical SMILES for 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene is Clc1ccc(OCCCOc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene?
The InChIKey is HRHIEUXMOHSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO2/c16-11-2-7-15(14(17)10-11)20-9-1-8-19-13-5-3-12(18)4-6-13/h2-7,10H,1,8-9H2.
What are the key properties of 2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene?
2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene has a molecular weight of 420.53 g/mol, XLogP of 5.71, 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-chlorophenoxy)propoxy]benzene is sourced from PubChem (CID 59330882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).