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

C11H11BrCl2O — CID 65008364

IUPAC2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(OCC2(CBr)CC2)c1
InChIInChI=1S/C11H11BrCl2O/c12-6-11(3-4-11)7-15-10-5-8(13)1-2-9(10)14/h1-2,5H,3-4,6-7H2
InChIKeyFNJZFPKVOAZHIL-UHFFFAOYSA-N
MW310.02 g/mol
LogP4.55
Rot. Bonds4

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

2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene (PubChem CID 65008364) has the molecular formula C11H11BrCl2O and a molecular weight of 310.02 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene
PubChem CID65008364
Molecular FormulaC11H11BrCl2O
Molecular Weight310.02 g/mol
Exact Mass307.94
IUPAC Name2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene
SMILESClc1ccc(Cl)c(OCC2(CBr)CC2)c1
InChIInChI=1S/C11H11BrCl2O/c12-6-11(3-4-11)7-15-10-5-8(13)1-2-9(10)14/h1-2,5H,3-4,6-7H2
InChIKeyFNJZFPKVOAZHIL-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.02
LogP ≤ 54.55
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
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65498164
1-[(5-bromo-2-chlorophenoxy)methyl]-1-(bromomethyl)cycloheptane
CID 65010650
1-(bromomethyl)-1-[(2-chloro-5-methylphenoxy)methyl]cycloheptane
CID 65010357
2-[1-[(2,5-dichlorophenoxy)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070577
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872
1-(bromomethyl)-1-[(5-chloro-2-nitrophenoxy)methyl]cycloheptane
CID 65010311
2,4-dibromo-1-[[1-(bromomethyl)cyclopropyl]methoxy]benzene
CID 65013825
2-[1-[(2-bromo-4-chlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65496044
1-[[1-(bromomethyl)cyclopropyl]methoxy]-2-fluorobenzene
CID 65008684
2-[1-[(2,4-dichlorophenoxy)methyl]cyclopropyl]ethanamine
CID 65495619
2-[[1-(bromomethyl)cyclopropyl]methoxy]-5-chloro-1,3-dimethylbenzene
CID 65008475

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene?
The IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene (CID 65008364) is 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene is Clc1ccc(Cl)c(OCC2(CBr)CC2)c1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene?
The InChIKey is FNJZFPKVOAZHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2O/c12-6-11(3-4-11)7-15-10-5-8(13)1-2-9(10)14/h1-2,5H,3-4,6-7H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene?
2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene has a molecular weight of 310.02 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopropyl]methoxy]-1,4-dichlorobenzene is sourced from PubChem (CID 65008364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).