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

C16H13Br3Cl2 — CID 79443813

IUPAC2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(CC(CBr)(CBr)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H13Br3Cl2/c17-9-16(10-18,12-1-3-13(19)4-2-12)8-11-7-14(20)5-6-15(11)21/h1-7H,8-10H2
InChIKeyVZHFBROMHZFZSI-UHFFFAOYSA-N
MW515.90 g/mol
LogP7.03
Rot. Bonds5

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

2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene (PubChem CID 79443813) has the molecular formula C16H13Br3Cl2 and a molecular weight of 515.90 g/mol. Its IUPAC name is 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
PubChem CID79443813
Molecular FormulaC16H13Br3Cl2
Molecular Weight515.90 g/mol
Exact Mass511.79
IUPAC Name2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(CC(CBr)(CBr)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H13Br3Cl2/c17-9-16(10-18,12-1-3-13(19)4-2-12)8-11-7-14(20)5-6-15(11)21/h1-7H,8-10H2
InChIKeyVZHFBROMHZFZSI-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.90
LogP ≤ 57.03
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-phenylpropyl]-1,4-dichlorobenzene
CID 79456363
1-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-2,4-dichlorobenzene
CID 79446063
2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine
CID 65316676
2-(3-bromo-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1-chloro-4-fluorobenzene
CID 102621610
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
CID 66050273
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
4-bromo-N-[(2,5-dichlorophenyl)methyl]aniline
CID 65315845
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,4-dichlorobenzene
CID 102642341
4-bromo-2-[3-chloro-2-(chloromethyl)-2-(4-chlorophenyl)propyl]-1-fluorobenzene
CID 79446799
4-[3-bromo-2-(bromomethyl)-2-(4-chlorophenyl)propyl]-1,2-difluorobenzene
CID 82927129
[1-(4-bromophenyl)-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105192530

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene?
The IUPAC name of 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene (CID 79443813) is 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene?
The canonical SMILES for 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene is Clc1ccc(Cl)c(CC(CBr)(CBr)c2ccc(Br)cc2)c1.
What is the InChIKey of 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene?
The InChIKey is VZHFBROMHZFZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br3Cl2/c17-9-16(10-18,12-1-3-13(19)4-2-12)8-11-7-14(20)5-6-15(11)21/h1-7H,8-10H2.
What are the key properties of 2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene?
2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene has a molecular weight of 515.90 g/mol, XLogP of 7.03, 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-(4-bromophenyl)propyl]-1,4-dichlorobenzene is sourced from PubChem (CID 79443813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).