1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene

C16H15BrCl2 — CID 81307831

IUPAC1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
SMILESCc1ccc(CC(Cl)c2ccc(Br)c(Cl)c2)cc1C
InChIInChI=1S/C16H15BrCl2/c1-10-3-4-12(7-11(10)2)8-15(18)13-5-6-14(17)16(19)9-13/h3-7,9,15H,8H2,1-2H3
InChIKeyCZTNUQMSMHBHCO-UHFFFAOYSA-N
MW358.11 g/mol
LogP6.24
Rot. Bonds3

About 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene

1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene (PubChem CID 81307831) has the molecular formula C16H15BrCl2 and a molecular weight of 358.11 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
PubChem CID81307831
Molecular FormulaC16H15BrCl2
Molecular Weight358.11 g/mol
Exact Mass355.97
IUPAC Name1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
SMILESCc1ccc(CC(Cl)c2ccc(Br)c(Cl)c2)cc1C
InChIInChI=1S/C16H15BrCl2/c1-10-3-4-12(7-11(10)2)8-15(18)13-5-6-14(17)16(19)9-13/h3-7,9,15H,8H2,1-2H3
InChIKeyCZTNUQMSMHBHCO-UHFFFAOYSA-N
XLogP6.24
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 ≤ 56.24
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

2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1-fluorobenzene
CID 82880182
4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluoro-1-methylbenzene
CID 55224820
1-bromo-2-chloro-4-[1-chloro-2-(3-methoxyphenyl)ethyl]benzene
CID 81307279
4-[2-chloro-2-(3,4-diethylphenyl)ethyl]-1,2-dimethylbenzene
CID 115482897
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431085
2-bromo-1-chloro-4-[1-chloro-2-(4-methylphenyl)ethyl]benzene
CID 107993341
1-bromo-2-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene
CID 113403141
2-bromo-4-[2-chloro-2-(3-chloro-4-hydroxyphenyl)ethyl]phenol
CID 70611604
1-bromo-5-chloro-3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-methoxybenzene
CID 63431203
1-bromo-2-chloro-4-[1-chloro-2-(2-chlorophenyl)ethyl]benzene
CID 81307607
2-chloro-4-[1-chloro-2-(4-methoxyphenyl)ethyl]-1-methylbenzene
CID 63520416

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene?
The IUPAC name of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene (CID 81307831) is 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene is Cc1ccc(CC(Cl)c2ccc(Br)c(Cl)c2)cc1C.
What is the InChIKey of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene?
The InChIKey is CZTNUQMSMHBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2/c1-10-3-4-12(7-11(10)2)8-15(18)13-5-6-14(17)16(19)9-13/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene?
1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene has a molecular weight of 358.11 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-[1-chloro-2-(3,4-dimethylphenyl)ethyl]benzene is sourced from PubChem (CID 81307831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).