4-bromo-2-(bromomethyl)-1-methoxybenzene

C8H8Br2O — CID 4962739

IUPAC4-bromo-2-(bromomethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CBr
InChIInChI=1S/C8H8Br2O/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
InChIKeyMZJDFNYHPWAVQP-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.35
Rot. Bonds2

About 4-bromo-2-(bromomethyl)-1-methoxybenzene

4-bromo-2-(bromomethyl)-1-methoxybenzene (PubChem CID 4962739) has the molecular formula C8H8Br2O and a molecular weight of 279.96 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-1-methoxybenzene
PubChem CID4962739
Molecular FormulaC8H8Br2O
Molecular Weight279.96 g/mol
Exact Mass277.89
IUPAC Name4-bromo-2-(bromomethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1CBr
InChIInChI=1S/C8H8Br2O/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
InChIKeyMZJDFNYHPWAVQP-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-bromo-2-(bromomethyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(bromomethyl)-1-methoxybenzene (CID 4962739) is 4-bromo-2-(bromomethyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(bromomethyl)-1-methoxybenzene is COc1ccc(Br)cc1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)-1-methoxybenzene?
The InChIKey is MZJDFNYHPWAVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2O/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3.
What are the key properties of 4-bromo-2-(bromomethyl)-1-methoxybenzene?
4-bromo-2-(bromomethyl)-1-methoxybenzene has a molecular weight of 279.96 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-1-methoxybenzene is sourced from PubChem (CID 4962739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).