2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene

C12H15BrCl2 — CID 66050273

IUPAC2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
SMILESCCC(C)(CBr)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15BrCl2/c1-3-12(2,8-13)7-9-6-10(14)4-5-11(9)15/h4-6H,3,7-8H2,1-2H3
InChIKeyICFJZZWYIAKQCX-UHFFFAOYSA-N
MW310.06 g/mol
LogP5.35
Rot. Bonds4

About 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene

2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene (PubChem CID 66050273) has the molecular formula C12H15BrCl2 and a molecular weight of 310.06 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
PubChem CID66050273
Molecular FormulaC12H15BrCl2
Molecular Weight310.06 g/mol
Exact Mass307.97
IUPAC Name2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene
SMILESCCC(C)(CBr)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15BrCl2/c1-3-12(2,8-13)7-9-6-10(14)4-5-11(9)15/h4-6H,3,7-8H2,1-2H3
InChIKeyICFJZZWYIAKQCX-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.06
LogP ≤ 55.35
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-2,2-dimethylpropyl)-1,4-dichlorobenzene
CID 66048184
2-[2-(bromomethyl)-2-methylbut-3-enyl]-1,4-dichlorobenzene
CID 102642341
4-chloro-1-(2-ethyl-2-methylbutyl)-2-fluorobenzene
CID 70931596
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
2-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-1,4-dichlorobenzene
CID 79456363
2-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1,4-dichlorobenzene
CID 79443813
4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
CID 20782922
2-(4-bromophenyl)-1-(2,5-dichlorophenyl)propan-2-amine
CID 65316676
2-[(2,5-dichlorophenyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 65318481
2-[(2,5-dichlorophenyl)methyl]-2-methylpentanoic acid
CID 65316987
1-(2,5-dichlorophenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039856
1-(2,5-dichlorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65316898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene?
The IUPAC name of 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene (CID 66050273) is 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene?
The canonical SMILES for 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene is CCC(C)(CBr)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene?
The InChIKey is ICFJZZWYIAKQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2/c1-3-12(2,8-13)7-9-6-10(14)4-5-11(9)15/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene?
2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene has a molecular weight of 310.06 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-2-methylbutyl]-1,4-dichlorobenzene is sourced from PubChem (CID 66050273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).