1,4-bis(bromomethyl)-2,5-dimethylbenzene

C10H12Br2 — CID 3015742

IUPAC1,4-bis(bromomethyl)-2,5-dimethylbenzene
SMILESCc1cc(CBr)c(C)cc1CBr
InChIInChI=1S/C10H12Br2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKeyMUSYLRHTIZVVCB-UHFFFAOYSA-N
MW292.01 g/mol
LogP4.09
Rot. Bonds2

About 1,4-bis(bromomethyl)-2,5-dimethylbenzene

1,4-bis(bromomethyl)-2,5-dimethylbenzene (PubChem CID 3015742) has the molecular formula C10H12Br2 and a molecular weight of 292.01 g/mol. Its IUPAC name is 1,4-bis(bromomethyl)-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,4-bis(bromomethyl)-2,5-dimethylbenzene
PubChem CID3015742
Molecular FormulaC10H12Br2
Molecular Weight292.01 g/mol
Exact Mass289.93
IUPAC Name1,4-bis(bromomethyl)-2,5-dimethylbenzene
SMILESCc1cc(CBr)c(C)cc1CBr
InChIInChI=1S/C10H12Br2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3
InChIKeyMUSYLRHTIZVVCB-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.01
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(bromomethyl)-2,5-dimethylbenzene?
The IUPAC name of 1,4-bis(bromomethyl)-2,5-dimethylbenzene (CID 3015742) is 1,4-bis(bromomethyl)-2,5-dimethylbenzene.
What is the SMILES notation for 1,4-bis(bromomethyl)-2,5-dimethylbenzene?
The canonical SMILES for 1,4-bis(bromomethyl)-2,5-dimethylbenzene is Cc1cc(CBr)c(C)cc1CBr.
What is the InChIKey of 1,4-bis(bromomethyl)-2,5-dimethylbenzene?
The InChIKey is MUSYLRHTIZVVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-4H,5-6H2,1-2H3.
What are the key properties of 1,4-bis(bromomethyl)-2,5-dimethylbenzene?
1,4-bis(bromomethyl)-2,5-dimethylbenzene has a molecular weight of 292.01 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(bromomethyl)-2,5-dimethylbenzene is sourced from PubChem (CID 3015742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).