2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene

C15H12Br2Cl2O — CID 63435247

IUPAC2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C15H12Br2Cl2O/c1-20-15-5-3-10(8-12(15)17)11(16)6-9-2-4-13(18)14(19)7-9/h2-5,7-8,11H,6H2,1H3
InChIKeyXOLSNANGJREEAB-UHFFFAOYSA-N
MW438.97 g/mol
LogP6.44
Rot. Bonds4

About 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene

2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene (PubChem CID 63435247) has the molecular formula C15H12Br2Cl2O and a molecular weight of 438.97 g/mol. Its IUPAC name is 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
PubChem CID63435247
Molecular FormulaC15H12Br2Cl2O
Molecular Weight438.97 g/mol
Exact Mass435.86
IUPAC Name2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C15H12Br2Cl2O/c1-20-15-5-3-10(8-12(15)17)11(16)6-9-2-4-13(18)14(19)7-9/h2-5,7-8,11H,6H2,1H3
InChIKeyXOLSNANGJREEAB-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.97
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
2-bromo-4-[1-bromo-2-(2-chlorophenyl)ethyl]-1-methoxybenzene
CID 63435432
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene (CID 63435247) is 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene is COc1ccc(C(Br)Cc2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene?
The InChIKey is XOLSNANGJREEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O/c1-20-15-5-3-10(8-12(15)17)11(16)6-9-2-4-13(18)14(19)7-9/h2-5,7-8,11H,6H2,1H3.
What are the key properties of 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene?
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene has a molecular weight of 438.97 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene is sourced from PubChem (CID 63435247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).