1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene

C16H16BrCl — CID 63430097

IUPAC1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H16BrCl/c1-11-6-7-15(12(2)8-11)16(18)10-13-4-3-5-14(17)9-13/h3-9,16H,10H2,1-2H3
InChIKeyBKFFFLPGVJWASQ-UHFFFAOYSA-N
MW323.66 g/mol
LogP5.59
Rot. Bonds3

About 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene

1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene (PubChem CID 63430097) has the molecular formula C16H16BrCl and a molecular weight of 323.66 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
PubChem CID63430097
Molecular FormulaC16H16BrCl
Molecular Weight323.66 g/mol
Exact Mass322.01
IUPAC Name1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
SMILESCc1ccc(C(Cl)Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H16BrCl/c1-11-6-7-15(12(2)8-11)16(18)10-13-4-3-5-14(17)9-13/h3-9,16H,10H2,1-2H3
InChIKeyBKFFFLPGVJWASQ-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

2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene
CID 107957989
1-bromo-3-[2-(3-bromophenyl)-1-chloroethyl]benzene
CID 63542515
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
CID 114025132
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
2-[2-(3-bromophenyl)-1-chloroethyl]-3-chloro-4-methylthiophene
CID 103405712
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
4-bromo-1-[1-chloro-2-(4-methoxyphenyl)ethyl]-2-methylbenzene
CID 63519198
1,4-dibromo-2-[chloro-(2,4-dimethylphenyl)methyl]benzene
CID 63429818
1-bromo-3-[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 63430706
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
1-[2-(4-bromo-2-methylphenyl)-2-chloroethyl]naphthalene
CID 63519350
2-bromo-6-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 115354481

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene (CID 63430097) is 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene is Cc1ccc(C(Cl)Cc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene?
The InChIKey is BKFFFLPGVJWASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl/c1-11-6-7-15(12(2)8-11)16(18)10-13-4-3-5-14(17)9-13/h3-9,16H,10H2,1-2H3.
What are the key properties of 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene?
1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-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 1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene is sourced from PubChem (CID 63430097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).