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

C15H13BrCl2 — CID 114025132

IUPAC2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(CC(Cl)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H13BrCl2/c1-10-3-2-4-11(7-10)8-15(18)13-6-5-12(17)9-14(13)16/h2-7,9,15H,8H2,1H3
InChIKeyDFCUTLIAAOXASC-UHFFFAOYSA-N
MW344.08 g/mol
LogP5.93
Rot. Bonds3

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

2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene (PubChem CID 114025132) has the molecular formula C15H13BrCl2 and a molecular weight of 344.08 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
PubChem CID114025132
Molecular FormulaC15H13BrCl2
Molecular Weight344.08 g/mol
Exact Mass341.96
IUPAC Name2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene
SMILESCc1cccc(CC(Cl)c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C15H13BrCl2/c1-10-3-2-4-11(7-10)8-15(18)13-6-5-12(17)9-14(13)16/h2-7,9,15H,8H2,1H3
InChIKeyDFCUTLIAAOXASC-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

4-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-1-methylbenzene
CID 82890883
2-[1-chloro-2-(3-chlorophenyl)ethyl]-1-fluoro-4-methylbenzene
CID 63543581
1-chloro-4-[1-chloro-2-(3-methylphenyl)ethyl]naphthalene
CID 79592812
2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene
CID 107957989
1-(4-chloro-2-methylphenyl)-2-(3-methylphenyl)ethanol
CID 114028154
1-chloro-2-[1-chloro-2-(3-methylphenyl)ethyl]-5-fluoro-4-methylbenzene
CID 81050258
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
1-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
CID 63430097
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639
2-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-difluorobenzene
CID 63542188
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene?
The IUPAC name of 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene (CID 114025132) is 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene.
What is the SMILES notation for 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene?
The canonical SMILES for 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene is Cc1cccc(CC(Cl)c2ccc(Cl)cc2Br)c1.
What is the InChIKey of 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene?
The InChIKey is DFCUTLIAAOXASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2/c1-10-3-2-4-11(7-10)8-15(18)13-6-5-12(17)9-14(13)16/h2-7,9,15H,8H2,1H3.
What are the key properties of 2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene?
2-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene 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-bromo-4-chloro-1-[1-chloro-2-(3-methylphenyl)ethyl]benzene is sourced from PubChem (CID 114025132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).