1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene

C16H14Br2Cl2 — CID 79456158

IUPAC1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
SMILESClc1ccccc1CC(CBr)(CBr)c1ccccc1Cl
InChIInChI=1S/C16H14Br2Cl2/c17-10-16(11-18,13-6-2-4-8-15(13)20)9-12-5-1-3-7-14(12)19/h1-8H,9-11H2
InChIKeyXLXDMNIVZCPZDX-UHFFFAOYSA-N
MW437.00 g/mol
LogP6.26
Rot. Bonds5

About 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene

1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene (PubChem CID 79456158) has the molecular formula C16H14Br2Cl2 and a molecular weight of 437.00 g/mol. Its IUPAC name is 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
PubChem CID79456158
Molecular FormulaC16H14Br2Cl2
Molecular Weight437.00 g/mol
Exact Mass433.88
IUPAC Name1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene
SMILESClc1ccccc1CC(CBr)(CBr)c1ccccc1Cl
InChIInChI=1S/C16H14Br2Cl2/c17-10-16(11-18,13-6-2-4-8-15(13)20)9-12-5-1-3-7-14(12)19/h1-8H,9-11H2
InChIKeyXLXDMNIVZCPZDX-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.00
LogP ≤ 56.26
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-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-2-methoxybenzene
CID 79446634
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
2-[3-bromo-2-(bromomethyl)-2-(2-chlorophenyl)propyl]-1,4-difluorobenzene
CID 79446654
1-[3-bromo-2-(bromomethyl)-2-(2-bromophenyl)propyl]-2,3-dichlorobenzene
CID 107310923
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-methylphenyl)propan-2-yl]benzene
CID 79453918
1-chloro-2-[1-chloro-2-(chloromethyl)-3-(2-fluorophenyl)propan-2-yl]benzene
CID 79453067
1-[2-(bromomethyl)-2-phenylbutyl]-2,3-dichlorobenzene
CID 107310802
1-[1-bromo-2-(bromomethyl)decan-2-yl]-2-chlorobenzene
CID 79455262
2,4-dichloro-1-[3-chloro-2-(chloromethyl)-2-(2-chlorophenyl)propyl]benzene
CID 79444471
1-[1-bromo-2-(bromomethyl)-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]-2-chlorobenzene
CID 112592559
1-(2-bromo-1,1-dimethoxyethyl)-2-chlorobenzene
CID 57343575

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene?
The IUPAC name of 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene (CID 79456158) is 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene.
What is the SMILES notation for 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene?
The canonical SMILES for 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene is Clc1ccccc1CC(CBr)(CBr)c1ccccc1Cl.
What is the InChIKey of 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene?
The InChIKey is XLXDMNIVZCPZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2Cl2/c17-10-16(11-18,13-6-2-4-8-15(13)20)9-12-5-1-3-7-14(12)19/h1-8H,9-11H2.
What are the key properties of 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene?
1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene has a molecular weight of 437.00 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(bromomethyl)-3-(2-chlorophenyl)propan-2-yl]-2-chlorobenzene is sourced from PubChem (CID 79456158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).