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

C16H15BrCl2 — CID 63441847

IUPAC2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15BrCl2/c1-10-3-4-11(2)13(7-10)14(17)8-12-5-6-15(18)16(19)9-12/h3-7,9,14H,8H2,1-2H3
InChIKeyJPAPHQAZQWXRPZ-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.29
Rot. Bonds3

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

2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene (PubChem CID 63441847) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene
PubChem CID63441847
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(Br)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H15BrCl2/c1-10-3-4-11(2)13(7-10)14(17)8-12-5-6-15(18)16(19)9-12/h3-7,9,14H,8H2,1-2H3
InChIKeyJPAPHQAZQWXRPZ-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.11
LogP ≤ 56.29
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

1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2,4-dimethylbenzene
CID 63438267
4-[2-bromo-2-(4-methylphenyl)ethyl]-1,2-dichlorobenzene
CID 63437434
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82891114
4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluoro-1-methylbenzene
CID 63531447
4-bromo-2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-chlorobenzene
CID 63542384
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-methylbenzene
CID 113396997
2-(3,4-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62795612
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048
[2-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)ethyl]hydrazine
CID 105210812
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dichlorobenzene
CID 63437197
1-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-3,5-dichlorobenzene
CID 63529429
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene (CID 63441847) is 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene is Cc1ccc(C)c(C(Br)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene?
The InChIKey is JPAPHQAZQWXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-10-3-4-11(2)13(7-10)14(17)8-12-5-6-15(18)16(19)9-12/h3-7,9,14H,8H2,1-2H3.
What are the key properties of 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene?
2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene has a molecular weight of 358.11 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1,4-dimethylbenzene is sourced from PubChem (CID 63441847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).