1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene

C11H11Br3O — CID 65008634

IUPAC1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
SMILESBrCC1(COc2c(Br)cccc2Br)CC1
InChIInChI=1S/C11H11Br3O/c12-6-11(4-5-11)7-15-10-8(13)2-1-3-9(10)14/h1-3H,4-7H2
InChIKeySVLBRUHMRXHITE-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.77
Rot. Bonds4

About 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene

1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene (PubChem CID 65008634) has the molecular formula C11H11Br3O and a molecular weight of 398.92 g/mol. Its IUPAC name is 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene.

Molecular Properties

Compound Name1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
PubChem CID65008634
Molecular FormulaC11H11Br3O
Molecular Weight398.92 g/mol
Exact Mass395.84
IUPAC Name1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
SMILESBrCC1(COc2c(Br)cccc2Br)CC1
InChIInChI=1S/C11H11Br3O/c12-6-11(4-5-11)7-15-10-8(13)2-1-3-9(10)14/h1-3H,4-7H2
InChIKeySVLBRUHMRXHITE-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

2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65013825
2-[1-[[2-bromo-6-[(cyclopropylamino)methyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65481504
1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-iodobenzene
CID 65008691
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2,3-dimethylbenzene
CID 65008525
1-[[2-(aminomethyl)-6-bromophenoxy]methyl]cyclohexan-1-ol
CID 65208540
1-bromo-4-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65203699
1-bromo-3-[[1-(bromomethyl)cyclobutyl]methoxy]benzene
CID 65007470
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-ethoxybenzene
CID 65008523
1-[[1-(bromomethyl)cyclopropyl]methoxy]-4-phenoxybenzene
CID 65008158
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-chlorobenzene
CID 65007522
3-bromo-2-[[1-(cyanomethyl)cyclopropyl]methoxy]benzoic acid
CID 65496714

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
The IUPAC name of 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene (CID 65008634) is 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene.
What is the SMILES notation for 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
The canonical SMILES for 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene is BrCC1(COc2c(Br)cccc2Br)CC1.
What is the InChIKey of 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
The InChIKey is SVLBRUHMRXHITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br3O/c12-6-11(4-5-11)7-15-10-8(13)2-1-3-9(10)14/h1-3H,4-7H2.
What are the key properties of 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene?
1,3-dibromo-2-[[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 1,3-dibromo-2-[[1-(bromomethyl)cyclopropyl]methoxy]benzene is sourced from PubChem (CID 65008634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).