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

C11H13Br2Cl — CID 165483203

IUPAC4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene
SMILESCc1cc(CC(CBr)CBr)ccc1Cl
InChIInChI=1S/C11H13Br2Cl/c1-8-4-9(2-3-11(8)14)5-10(6-12)7-13/h2-4,10H,5-7H2,1H3
InChIKeyTXHXXLMDEHXRIT-UHFFFAOYSA-N
MW340.49 g/mol
LogP4.60
Rot. Bonds4

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

4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene (PubChem CID 165483203) has the molecular formula C11H13Br2Cl and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene.

Molecular Properties

Compound Name4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene
PubChem CID165483203
Molecular FormulaC11H13Br2Cl
Molecular Weight340.49 g/mol
Exact Mass337.91
IUPAC Name4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene
SMILESCc1cc(CC(CBr)CBr)ccc1Cl
InChIInChI=1S/C11H13Br2Cl/c1-8-4-9(2-3-11(8)14)5-10(6-12)7-13/h2-4,10H,5-7H2,1H3
InChIKeyTXHXXLMDEHXRIT-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 54.60
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-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
4-[2-(bromomethyl)-3-(4-bromophenyl)propyl]-1,2-dimethylbenzene
CID 66041895
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
1-chloro-4-(fluoromethyl)-2-methylbenzene
CID 67488160
2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-1,4-dichlorobenzene
CID 66042274
4-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-chloro-2-methylbenzene
CID 165483204
1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218
1-[2-(bromomethyl)-3-(4-chlorophenyl)propyl]-2-chloro-4-methylbenzene
CID 106870696
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-3-methylbenzene
CID 66040904

Frequently Asked Questions

What is the IUPAC name of 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene?
The IUPAC name of 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene (CID 165483203) is 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene.
What is the SMILES notation for 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene?
The canonical SMILES for 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene is Cc1cc(CC(CBr)CBr)ccc1Cl.
What is the InChIKey of 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene?
The InChIKey is TXHXXLMDEHXRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2Cl/c1-8-4-9(2-3-11(8)14)5-10(6-12)7-13/h2-4,10H,5-7H2,1H3.
What are the key properties of 4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene?
4-[3-bromo-2-(bromomethyl)propyl]-1-chloro-2-methylbenzene has a molecular weight of 340.49 g/mol, XLogP of 4.60, 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)propyl]-1-chloro-2-methylbenzene is sourced from PubChem (CID 165483203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).