1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene

C15H12BrCl3 — CID 107310833

IUPAC1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
SMILESClc1cccc(C(CBr)Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H12BrCl3/c16-9-12(10-3-1-5-13(17)8-10)7-11-4-2-6-14(18)15(11)19/h1-6,8,12H,7,9H2
InChIKeyRVLKWQYWMDMPDJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.37
Rot. Bonds4

About 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene

1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene (PubChem CID 107310833) has the molecular formula C15H12BrCl3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
PubChem CID107310833
Molecular FormulaC15H12BrCl3
Molecular Weight378.52 g/mol
Exact Mass375.92
IUPAC Name1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
SMILESClc1cccc(C(CBr)Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C15H12BrCl3/c16-9-12(10-3-1-5-13(17)8-10)7-11-4-2-6-14(18)15(11)19/h1-6,8,12H,7,9H2
InChIKeyRVLKWQYWMDMPDJ-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.37
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-[3-bromo-2-(3-chlorophenyl)propyl]-5-chlorothiophene
CID 79430000
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 79432003
1-[3-bromo-2-(3-chlorophenyl)propyl]-3,5-difluorobenzene
CID 105410987
1-[3-bromo-2-(3-methylphenyl)propyl]-2,4-dichlorobenzene
CID 79423428
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-(trifluoromethyl)benzene
CID 79432715
3-bromo-2-[3-bromo-2-(3-chlorophenyl)propyl]thiophene
CID 79432265
1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
CID 63468434
1-(3-bromophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107308364
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene?
The IUPAC name of 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene (CID 107310833) is 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene?
The canonical SMILES for 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene is Clc1cccc(C(CBr)Cc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene?
The InChIKey is RVLKWQYWMDMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl3/c16-9-12(10-3-1-5-13(17)8-10)7-11-4-2-6-14(18)15(11)19/h1-6,8,12H,7,9H2.
What are the key properties of 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene?
1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene has a molecular weight of 378.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene is sourced from PubChem (CID 107310833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).