2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene

C11H11Br3O — CID 65013825

IUPAC2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
SMILESBrCC1(COc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C11H11Br3O/c12-6-11(3-4-11)7-15-10-2-1-8(13)5-9(10)14/h1-2,5H,3-4,6-7H2
InChIKeyWGKDGLCKMHCFFD-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.77
Rot. Bonds4

About 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene

2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene (PubChem CID 65013825) has the molecular formula C11H11Br3O and a molecular weight of 398.92 g/mol. Its IUPAC name is 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene.

Molecular Properties

Compound Name2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
PubChem CID65013825
Molecular FormulaC11H11Br3O
Molecular Weight398.92 g/mol
Exact Mass395.84
IUPAC Name2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
SMILESBrCC1(COc2ccc(Br)cc2Br)CC1
InChIInChI=1S/C11H11Br3O/c12-6-11(3-4-11)7-15-10-2-1-8(13)5-9(10)14/h1-2,5H,3-4,6-7H2
InChIKeyWGKDGLCKMHCFFD-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chlorobenzene
CID 65013710
1-[(2,4-dibromophenoxy)methyl]cyclohexan-1-ol
CID 65213548
1-[(5-bromo-2-chlorophenoxy)methyl]-1-(bromomethyl)cycloheptane
CID 65010650
4-bromo-2-[[1-(bromomethyl)cyclopentyl]methoxy]-1-fluorobenzene
CID 114672157
[4-[(2,4-dibromophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006201
2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene
CID 65008364
1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65008634
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65496044
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65203699

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
The IUPAC name of 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene (CID 65013825) is 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene.
What is the SMILES notation for 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
The canonical SMILES for 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene is BrCC1(COc2ccc(Br)cc2Br)CC1.
What is the InChIKey of 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
The InChIKey is WGKDGLCKMHCFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br3O/c12-6-11(3-4-11)7-15-10-2-1-8(13)5-9(10)14/h1-2,5H,3-4,6-7H2.
What are the key properties of 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene has a molecular weight of 398.92 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene is sourced from PubChem (CID 65013825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).