4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene

C12H15Br2Cl — CID 165483204

IUPAC4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
SMILESCc1cc(CC(C)(CBr)CBr)ccc1Cl
InChIInChI=1S/C12H15Br2Cl/c1-9-5-10(3-4-11(9)15)6-12(2,7-13)8-14/h3-5H,6-8H2,1-2H3
InChIKeyIMFTXJHSJDXDAZ-UHFFFAOYSA-N
MW354.51 g/mol
LogP4.99
Rot. Bonds4

About 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene

4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene (PubChem CID 165483204) has the molecular formula C12H15Br2Cl and a molecular weight of 354.51 g/mol. Its IUPAC name is 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene.

Molecular Properties

Compound Name4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
PubChem CID165483204
Molecular FormulaC12H15Br2Cl
Molecular Weight354.51 g/mol
Exact Mass351.92
IUPAC Name4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
SMILESCc1cc(CC(C)(CBr)CBr)ccc1Cl
InChIInChI=1S/C12H15Br2Cl/c1-9-5-10(3-4-11(9)15)6-12(2,7-13)8-14/h3-5H,6-8H2,1-2H3
InChIKeyIMFTXJHSJDXDAZ-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 54.99
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

4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
1-chloro-4-(fluoromethyl)-2-methylbenzene
CID 67488160
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218
2-[(4-chloro-3-methylphenyl)methyl]-2-fluorobutan-1-amine
CID 165484448
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene
CID 165483203
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
1-(4-chloro-3-methylphenyl)heptan-4-one
CID 83937386
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene?
The IUPAC name of 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene (CID 165483204) is 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene.
What is the SMILES notation for 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene?
The canonical SMILES for 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene is Cc1cc(CC(C)(CBr)CBr)ccc1Cl.
What is the InChIKey of 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene?
The InChIKey is IMFTXJHSJDXDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2Cl/c1-9-5-10(3-4-11(9)15)6-12(2,7-13)8-14/h3-5H,6-8H2,1-2H3.
What are the key properties of 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene?
4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene has a molecular weight of 354.51 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene is sourced from PubChem (CID 165483204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).