2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene

C16H16BrCl — CID 55224263

IUPAC2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(Cl)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrCl/c1-11-7-8-12(2)13(9-11)10-16(18)14-5-3-4-6-15(14)17/h3-9,16H,10H2,1-2H3
InChIKeyNUFMFGRQUUXQCQ-UHFFFAOYSA-N
MW323.66 g/mol
LogP5.59
Rot. Bonds3

About 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene

2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene (PubChem CID 55224263) has the molecular formula C16H16BrCl and a molecular weight of 323.66 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
PubChem CID55224263
Molecular FormulaC16H16BrCl
Molecular Weight323.66 g/mol
Exact Mass322.01
IUPAC Name2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CC(Cl)c2ccccc2Br)c1
InChIInChI=1S/C16H16BrCl/c1-11-7-8-12(2)13(9-11)10-16(18)14-5-3-4-6-15(14)17/h3-9,16H,10H2,1-2H3
InChIKeyNUFMFGRQUUXQCQ-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.66
LogP ≤ 55.59
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-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,3-difluorobenzene
CID 63544773
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
2-[2-(5-bromo-2-fluorophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 63544422
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
2-[2-[(2-bromophenyl)methyl]-3-chloropropyl]-1,4-dimethylbenzene
CID 66050801
1-(2-bromophenyl)-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 63420181
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
2-[2-chloro-2-(4-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 55224453
2-[2-chloro-2-(3-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 63544772

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene?
The IUPAC name of 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene (CID 55224263) is 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene?
The canonical SMILES for 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene is Cc1ccc(C)c(CC(Cl)c2ccccc2Br)c1.
What is the InChIKey of 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene?
The InChIKey is NUFMFGRQUUXQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl/c1-11-7-8-12(2)13(9-11)10-16(18)14-5-3-4-6-15(14)17/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene?
2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene has a molecular weight of 323.66 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene is sourced from PubChem (CID 55224263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).