4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene

C12H15Br2ClO2 — CID 134282701

IUPAC4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene
SMILESClCCCOc1cc(Br)ccc1OCCCBr
InChIInChI=1S/C12H15Br2ClO2/c13-5-1-7-16-11-4-3-10(14)9-12(11)17-8-2-6-15/h3-4,9H,1-2,5-8H2
InChIKeyJEXBZYZEUKOAFZ-UHFFFAOYSA-N
MW386.51 g/mol
LogP4.62
Rot. Bonds8

About 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene

4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene (PubChem CID 134282701) has the molecular formula C12H15Br2ClO2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene
PubChem CID134282701
Molecular FormulaC12H15Br2ClO2
Molecular Weight386.51 g/mol
Exact Mass383.91
IUPAC Name4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene
SMILESClCCCOc1cc(Br)ccc1OCCCBr
InChIInChI=1S/C12H15Br2ClO2/c13-5-1-7-16-11-4-3-10(14)9-12(11)17-8-2-6-15/h3-4,9H,1-2,5-8H2
InChIKeyJEXBZYZEUKOAFZ-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1,2-dibutoxybenzene
CID 10870333
4-bromo-2-(2-chloroethoxy)-1-methoxybenzene
CID 66602625
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
4-bromo-1-(6-chlorohexoxy)-2-methylbenzene
CID 63498941
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
4-bromo-1-(2-bromoethoxy)-2-methylbenzene
CID 63216698
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
4-bromo-2-(3-fluoropropoxy)-1-methoxybenzene
CID 146460696
4-bromo-1-methoxy-2-(2-methoxyethoxy)benzene
CID 53216998
5-(5-bromo-2-methoxyphenoxy)pentan-1-ol
CID 155928755
1-(3-bromopropoxy)-2,4-dimethoxybenzene
CID 119089808
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene?
The IUPAC name of 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene (CID 134282701) is 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene.
What is the SMILES notation for 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene?
The canonical SMILES for 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene is ClCCCOc1cc(Br)ccc1OCCCBr.
What is the InChIKey of 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene?
The InChIKey is JEXBZYZEUKOAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2ClO2/c13-5-1-7-16-11-4-3-10(14)9-12(11)17-8-2-6-15/h3-4,9H,1-2,5-8H2.
What are the key properties of 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene?
4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene has a molecular weight of 386.51 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3-bromopropoxy)-2-(3-chloropropoxy)benzene is sourced from PubChem (CID 134282701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).