1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene

C14H9BrCl4 — CID 63529429

IUPAC1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(C(Br)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H9BrCl4/c15-12(9-5-10(16)7-11(17)6-9)3-8-1-2-13(18)14(19)4-8/h1-2,4-7,12H,3H2
InChIKeyAMVPQISLWVPVPR-UHFFFAOYSA-N
MW398.94 g/mol
LogP6.98
Rot. Bonds3

About 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene

1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene (PubChem CID 63529429) has the molecular formula C14H9BrCl4 and a molecular weight of 398.94 g/mol. Its IUPAC name is 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
PubChem CID63529429
Molecular FormulaC14H9BrCl4
Molecular Weight398.94 g/mol
Exact Mass395.86
IUPAC Name1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(C(Br)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H9BrCl4/c15-12(9-5-10(16)7-11(17)6-9)3-8-1-2-13(18)14(19)4-8/h1-2,4-7,12H,3H2
InChIKeyAMVPQISLWVPVPR-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.94
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-chlorobenzene
CID 107993456
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
1-[1-bromo-2-(3-fluorophenyl)ethyl]-3,5-dichlorobenzene
CID 63543838
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
4-[1-bromo-2-(4-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 63444797
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
2-bromo-5-[1-bromo-2-(3,4-dichlorophenyl)ethyl]furan
CID 63530606
1-bromo-3-[1-bromo-2-(4-methylphenyl)ethyl]-5-chlorobenzene
CID 107958041

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene?
The IUPAC name of 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene (CID 63529429) is 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene is Clc1cc(Cl)cc(C(Br)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene?
The InChIKey is AMVPQISLWVPVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl4/c15-12(9-5-10(16)7-11(17)6-9)3-8-1-2-13(18)14(19)4-8/h1-2,4-7,12H,3H2.
What are the key properties of 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene?
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene has a molecular weight of 398.94 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene is sourced from PubChem (CID 63529429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).