1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene

C15H13Br2Cl — CID 79454557

IUPAC1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene
SMILESClc1ccccc1C(CBr)Cc1ccc(Br)cc1
InChIInChI=1S/C15H13Br2Cl/c16-10-12(14-3-1-2-4-15(14)18)9-11-5-7-13(17)8-6-11/h1-8,12H,9-10H2
InChIKeyWDNJLCDKEVDGME-UHFFFAOYSA-N
MW388.53 g/mol
LogP5.82
Rot. Bonds4

About 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene

1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene (PubChem CID 79454557) has the molecular formula C15H13Br2Cl and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene
PubChem CID79454557
Molecular FormulaC15H13Br2Cl
Molecular Weight388.53 g/mol
Exact Mass385.91
IUPAC Name1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene
SMILESClc1ccccc1C(CBr)Cc1ccc(Br)cc1
InChIInChI=1S/C15H13Br2Cl/c16-10-12(14-3-1-2-4-15(14)18)9-11-5-7-13(17)8-6-11/h1-8,12H,9-10H2
InChIKeyWDNJLCDKEVDGME-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 55.82
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-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
1-bromo-2-[1-bromo-3-(4-chlorophenyl)propan-2-yl]benzene
CID 79454411
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
1-bromo-2-[1-bromo-3-(4-propan-2-ylphenyl)propan-2-yl]benzene
CID 79454413
1-(1-bromo-4-methylpentan-2-yl)-2-chlorobenzene
CID 79454322
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570
2-[3-bromo-2-(2-chlorophenyl)propyl]-5-ethylthiophene
CID 79454711
1-bromo-4-[chloro-(2-chlorophenyl)methyl]benzene
CID 63429160
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 60818442
4-bromo-5-[3-bromo-2-(2-chlorophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79455166

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene?
The IUPAC name of 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene (CID 79454557) is 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene.
What is the SMILES notation for 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene?
The canonical SMILES for 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene is Clc1ccccc1C(CBr)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene?
The InChIKey is WDNJLCDKEVDGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2Cl/c16-10-12(14-3-1-2-4-15(14)18)9-11-5-7-13(17)8-6-11/h1-8,12H,9-10H2.
What are the key properties of 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene?
1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene has a molecular weight of 388.53 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]benzene is sourced from PubChem (CID 79454557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).