1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene

C11H12Br2O — CID 165495012

IUPAC1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene
SMILESBrCC(OC1CC1)c1cccc(Br)c1
InChIInChI=1S/C11H12Br2O/c12-7-11(14-10-4-5-10)8-2-1-3-9(13)6-8/h1-3,6,10-11H,4-5,7H2
InChIKeyAUYKWKDXDZDLPQ-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.06
Rot. Bonds4

About 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene

1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene (PubChem CID 165495012) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene
PubChem CID165495012
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene
SMILESBrCC(OC1CC1)c1cccc(Br)c1
InChIInChI=1S/C11H12Br2O/c12-7-11(14-10-4-5-10)8-2-1-3-9(13)6-8/h1-3,6,10-11H,4-5,7H2
InChIKeyAUYKWKDXDZDLPQ-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-(2-bromo-1-cyclohexyloxyethyl)benzene
CID 63468801
1-bromo-3-[2-bromo-1-(2-ethylcyclohexyl)oxyethyl]benzene
CID 55192868
N-[2-(3-bromophenyl)-2-cyclobutyloxyethyl]cyclopropanamine
CID 62382196
[(1R)-2-bromo-1-(3-bromophenyl)ethoxy]-trimethylsilane
CID 129406642
1-bromo-3-[2-iodo-1-(3-methoxycyclohexyl)oxyethyl]benzene
CID 114774280
1-bromo-3-(2-bromo-1-heptoxyethyl)benzene
CID 63474762
1-bromo-3-[2-bromo-1-(2-butoxyethoxy)ethyl]benzene
CID 62107616
1-bromo-3-(1,2-dibromoethyl)benzene
CID 139746673
1-bromo-3-[2-bromo-1-(2-propoxyethoxy)ethyl]benzene
CID 63685610
2-(3-bromophenyl)-2-(2-methylcyclohexyl)oxyethanamine
CID 55018005
1-bromo-3-(2-bromo-1-phenylethyl)benzene
CID 151109917
2-(3-bromophenyl)-2-(cyclopentylmethoxy)ethanamine
CID 66323008

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene?
The IUPAC name of 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene (CID 165495012) is 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene.
What is the SMILES notation for 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene?
The canonical SMILES for 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene is BrCC(OC1CC1)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene?
The InChIKey is AUYKWKDXDZDLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O/c12-7-11(14-10-4-5-10)8-2-1-3-9(13)6-8/h1-3,6,10-11H,4-5,7H2.
What are the key properties of 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene?
1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene has a molecular weight of 320.02 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-bromo-1-cyclopropyloxyethyl)benzene is sourced from PubChem (CID 165495012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).