1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene

C15H13BrCl2O — CID 63468434

IUPAC1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
SMILESClc1cccc(C(CBr)OCc2ccccc2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c16-9-15(11-5-3-6-13(17)8-11)19-10-12-4-1-2-7-14(12)18/h1-8,15H,9-10H2
InChIKeySLILKLFGWAHNBI-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.65
Rot. Bonds5

About 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene

1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene (PubChem CID 63468434) has the molecular formula C15H13BrCl2O and a molecular weight of 360.08 g/mol. Its IUPAC name is 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
PubChem CID63468434
Molecular FormulaC15H13BrCl2O
Molecular Weight360.08 g/mol
Exact Mass357.95
IUPAC Name1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene
SMILESClc1cccc(C(CBr)OCc2ccccc2Cl)c1
InChIInChI=1S/C15H13BrCl2O/c16-9-15(11-5-3-6-13(17)8-11)19-10-12-4-1-2-7-14(12)18/h1-8,15H,9-10H2
InChIKeySLILKLFGWAHNBI-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.65
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

1-chloro-2-[[1-(3-chlorophenyl)-2-iodoethoxy]methyl]benzene
CID 114772826
1-[2-bromo-1-(2-methylpropoxy)ethyl]-3-chlorobenzene
CID 62112370
1-[2-bromo-1-(3-phenylpropoxy)ethyl]-3-chlorobenzene
CID 63473880
1-[2-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-chlorobenzene
CID 104565572
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
1-[2-bromo-1-(2-methylpentoxy)ethyl]-3-chlorobenzene
CID 103285122
1-[2-bromo-1-(2-butoxyethoxy)ethyl]-3-chlorobenzene
CID 62107441
1-[3-bromo-2-(3-chlorophenyl)propyl]-2,3-dichlorobenzene
CID 107310833
1-[2-bromo-1-[3-(2-methoxyethoxy)propoxy]ethyl]-3-chlorobenzene
CID 103405049
1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene
CID 63933659
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
CID 55022331
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586

Frequently Asked Questions

What is the IUPAC name of 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene?
The IUPAC name of 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene (CID 63468434) is 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene.
What is the SMILES notation for 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene?
The canonical SMILES for 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene is Clc1cccc(C(CBr)OCc2ccccc2Cl)c1.
What is the InChIKey of 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene?
The InChIKey is SLILKLFGWAHNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O/c16-9-15(11-5-3-6-13(17)8-11)19-10-12-4-1-2-7-14(12)18/h1-8,15H,9-10H2.
What are the key properties of 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene?
1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene has a molecular weight of 360.08 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-bromo-1-(3-chlorophenyl)ethoxy]methyl]-2-chlorobenzene is sourced from PubChem (CID 63468434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).