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

C16H14BrCl3 — CID 66042144

IUPAC2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene
SMILESClc1ccccc1CC(CBr)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14BrCl3/c17-10-11(8-12-4-1-2-5-14(12)18)9-13-15(19)6-3-7-16(13)20/h1-7,11H,8-10H2
InChIKeyQAMUSMXJAFDXDB-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.44
Rot. Bonds5

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

2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene (PubChem CID 66042144) has the molecular formula C16H14BrCl3 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene
PubChem CID66042144
Molecular FormulaC16H14BrCl3
Molecular Weight392.55 g/mol
Exact Mass389.93
IUPAC Name2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene
SMILESClc1ccccc1CC(CBr)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H14BrCl3/c17-10-11(8-12-4-1-2-5-14(12)18)9-13-15(19)6-3-7-16(13)20/h1-7,11H,8-10H2
InChIKeyQAMUSMXJAFDXDB-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.44
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-(bromomethyl)-3-(2-chlorophenyl)propyl]-trimethylsilane
CID 106324208
2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-1,3-dichlorobenzene
CID 66040669
4-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-chloro-1-fluorobenzene
CID 103042082
5-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66043151
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-benzothiazole
CID 104632464
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
1-(3-bromo-2-phenylpropyl)-2-chlorobenzene
CID 66041463
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,3-dichlorobenzene
CID 63543588
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-chlorobenzene
CID 79434327
1-bromo-2-[1-bromo-3-(2-chlorophenyl)propan-2-yl]benzene
CID 79454570

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene?
The IUPAC name of 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene (CID 66042144) is 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene.
What is the SMILES notation for 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene?
The canonical SMILES for 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene is Clc1ccccc1CC(CBr)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene?
The InChIKey is QAMUSMXJAFDXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl3/c17-10-11(8-12-4-1-2-5-14(12)18)9-13-15(19)6-3-7-16(13)20/h1-7,11H,8-10H2.
What are the key properties of 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene?
2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene has a molecular weight of 392.55 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-1,3-dichlorobenzene is sourced from PubChem (CID 66042144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).