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

C14H10Br3Cl — CID 107957989

IUPAC2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene
SMILESClC(Cc1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br3Cl/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-6,8,14H,7H2
InChIKeyZTRKWPPKXGJHRG-UHFFFAOYSA-N
MW453.40 g/mol
LogP6.50
Rot. Bonds3

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

2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene (PubChem CID 107957989) has the molecular formula C14H10Br3Cl and a molecular weight of 453.40 g/mol. Its IUPAC name is 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene
PubChem CID107957989
Molecular FormulaC14H10Br3Cl
Molecular Weight453.40 g/mol
Exact Mass449.80
IUPAC Name2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene
SMILESClC(Cc1cccc(Br)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H10Br3Cl/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-6,8,14H,7H2
InChIKeyZTRKWPPKXGJHRG-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.40
LogP ≤ 56.50
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-[2-(3-bromophenyl)-1-chloroethyl]-2,4-dimethylbenzene
CID 63430097
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
3-bromo-5-[2-(3-bromophenyl)-1-chloroethyl]-2-chlorothiophene
CID 102836380
1-bromo-3-[2-chloro-2-(4-ethylphenyl)ethyl]benzene
CID 55198133
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
1-bromo-3-[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 63430706
1-bromo-2-[1-chloro-2-(3-fluorophenyl)ethyl]-4-fluorobenzene
CID 63543533
2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
CID 107945002
1-bromo-3-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]benzene
CID 63432687
(2,4-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107946916
1-bromo-3-(2-chloro-4-phenylbutyl)benzene
CID 55222563

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene?
The IUPAC name of 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene (CID 107957989) is 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene.
What is the SMILES notation for 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene?
The canonical SMILES for 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene is ClC(Cc1cccc(Br)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene?
The InChIKey is ZTRKWPPKXGJHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3Cl/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-6,8,14H,7H2.
What are the key properties of 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene?
2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene has a molecular weight of 453.40 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[2-(3-bromophenyl)-1-chloroethyl]benzene is sourced from PubChem (CID 107957989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).