2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene

C16H14Br2Cl2 — CID 79456363

IUPAC2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(CC(CBr)(CBr)c2ccccc2)c1
InChIInChI=1S/C16H14Br2Cl2/c17-10-16(11-18,13-4-2-1-3-5-13)9-12-8-14(19)6-7-15(12)20/h1-8H,9-11H2
InChIKeyQIEVKSFHGRBWQR-UHFFFAOYSA-N
MW437.00 g/mol
LogP6.26
Rot. Bonds5

About 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene

2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene (PubChem CID 79456363) has the molecular formula C16H14Br2Cl2 and a molecular weight of 437.00 g/mol. Its IUPAC name is 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene
PubChem CID79456363
Molecular FormulaC16H14Br2Cl2
Molecular Weight437.00 g/mol
Exact Mass433.88
IUPAC Name2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(CC(CBr)(CBr)c2ccccc2)c1
InChIInChI=1S/C16H14Br2Cl2/c17-10-16(11-18,13-4-2-1-3-5-13)9-12-8-14(19)6-7-15(12)20/h1-8H,9-11H2
InChIKeyQIEVKSFHGRBWQR-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

2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
CID 79443813
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
1-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-2,4-dichlorobenzene
CID 79446063
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-difluorobenzene
CID 79455643
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184
1-[2-(bromomethyl)-2-phenylbutyl]-2,3-dichlorobenzene
CID 107310802
1-[2-(bromomethyl)-2-phenylbutyl]-3-chlorobenzene
CID 66048066
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
1-[3-bromo-2-(bromomethyl)-2-(3-fluorophenyl)propyl]-4-chloro-2-fluorobenzene
CID 114862293
1-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-2,3-difluorobenzene
CID 79455962
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dimethylbenzene
CID 79455964

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene?
The IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene (CID 79456363) is 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene?
The canonical SMILES for 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene is Clc1ccc(Cl)c(CC(CBr)(CBr)c2ccccc2)c1.
What is the InChIKey of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene?
The InChIKey is QIEVKSFHGRBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2Cl2/c17-10-16(11-18,13-4-2-1-3-5-13)9-12-8-14(19)6-7-15(12)20/h1-8H,9-11H2.
What are the key properties of 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene?
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene 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 2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene is sourced from PubChem (CID 79456363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).