1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene

C10H10BrCl3O — CID 107657601

IUPAC1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene
SMILESClCCCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H10BrCl3O/c11-7-5-9(14)10(6-8(7)13)15-4-2-1-3-12/h5-6H,1-4H2
InChIKeyASZFPYBVKZZFBD-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.15
Rot. Bonds5

About 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene

1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene (PubChem CID 107657601) has the molecular formula C10H10BrCl3O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene.

Molecular Properties

Compound Name1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene
PubChem CID107657601
Molecular FormulaC10H10BrCl3O
Molecular Weight332.45 g/mol
Exact Mass329.90
IUPAC Name1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene
SMILESClCCCCOc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C10H10BrCl3O/c11-7-5-9(14)10(6-8(7)13)15-4-2-1-3-12/h5-6H,1-4H2
InChIKeyASZFPYBVKZZFBD-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromo-2,5-dichlorophenoxy)pentan-1-amine
CID 107656497
3-(4-bromo-2,5-dichlorophenoxy)propan-1-amine
CID 107656499
1,4-dichloro-2,5-bis(3-chloropropoxy)benzene
CID 54022479
4-(4-bromo-2,5-dichlorophenoxy)butanoic acid
CID 22687414
5-(4-bromo-2,5-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 107661011
2-[2-(4-bromo-2,5-dichlorophenoxy)ethoxy]ethanethiol
CID 107662391
1-bromo-2,5-dichloro-4-[(E)-4-chlorobut-2-enoxy]benzene
CID 107657621
2,4-dibromo-1-(5-chloropentoxy)benzene
CID 64718438
1-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]piperazine
CID 107658281
5-amino-1-[3-(4-bromo-2,5-dichlorophenoxy)propyl]pyridin-2-one
CID 107656019
3-(4-bromo-2,5-dichlorophenoxy)-2-methylpropan-1-amine
CID 107659698
N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]-3-methylaniline
CID 107661398

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene?
The IUPAC name of 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene (CID 107657601) is 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene.
What is the SMILES notation for 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene?
The canonical SMILES for 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene is ClCCCCOc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene?
The InChIKey is ASZFPYBVKZZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl3O/c11-7-5-9(14)10(6-8(7)13)15-4-2-1-3-12/h5-6H,1-4H2.
What are the key properties of 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene?
1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene has a molecular weight of 332.45 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,5-dichloro-4-(4-chlorobutoxy)benzene is sourced from PubChem (CID 107657601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).