2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene

C15H13BrCl2 — CID 82891112

IUPAC2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
SMILESCc1ccc(Cl)cc1C(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2/c1-10-2-7-13(17)9-14(10)15(18)8-11-3-5-12(16)6-4-11/h2-7,9,15H,8H2,1H3
InChIKeyPHTDYEXPRSVKJM-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.93
Rot. Bonds3

About 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene

2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene (PubChem CID 82891112) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
PubChem CID82891112
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene
SMILESCc1ccc(Cl)cc1C(Cl)Cc1ccc(Br)cc1
InChIInChI=1S/C15H13BrCl2/c1-10-2-7-13(17)9-14(10)15(18)8-11-3-5-12(16)6-4-11/h2-7,9,15H,8H2,1H3
InChIKeyPHTDYEXPRSVKJM-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.08
LogP ≤ 55.93
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-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-2-methoxybenzene
CID 63520054
4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
1-bromo-3-[2-(4-bromophenyl)-1-chloroethyl]-5-chloro-2-methoxybenzene
CID 63430608
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
1-[2-(4-bromophenyl)-1-chloroethyl]-2-fluoro-3-methylbenzene
CID 81477923
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444
4-bromo-1-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-2-fluorobenzene
CID 55224629
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82891114
1-(5-chloro-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980972
1-[2-(4-bromophenyl)-1-chloroethyl]-2-chloro-3-fluorobenzene
CID 81462158
4-chloro-2-[chloro-(4-ethylphenyl)methyl]-1-methylbenzene
CID 82890709

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene?
The IUPAC name of 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene (CID 82891112) is 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene.
What is the SMILES notation for 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene?
The canonical SMILES for 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene is Cc1ccc(Cl)cc1C(Cl)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene?
The InChIKey is PHTDYEXPRSVKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-10-2-7-13(17)9-14(10)15(18)8-11-3-5-12(16)6-4-11/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene?
2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene has a molecular weight of 344.08 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-1-methylbenzene is sourced from PubChem (CID 82891112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).