1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene

C14H20BrClO2 — CID 112589307

IUPAC1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
SMILESCC(C)(C)OCCOC(CBr)c1ccccc1Cl
InChIInChI=1S/C14H20BrClO2/c1-14(2,3)18-9-8-17-13(10-15)11-6-4-5-7-12(11)16/h4-7,13H,8-10H2,1-3H3
InChIKeyFIYUETCDXQTLNL-UHFFFAOYSA-N
MW335.67 g/mol
LogP4.61
Rot. Bonds6

About 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene

1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene (PubChem CID 112589307) has the molecular formula C14H20BrClO2 and a molecular weight of 335.67 g/mol. Its IUPAC name is 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene.

Molecular Properties

Compound Name1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
PubChem CID112589307
Molecular FormulaC14H20BrClO2
Molecular Weight335.67 g/mol
Exact Mass334.03
IUPAC Name1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene
SMILESCC(C)(C)OCCOC(CBr)c1ccccc1Cl
InChIInChI=1S/C14H20BrClO2/c1-14(2,3)18-9-8-17-13(10-15)11-6-4-5-7-12(11)16/h4-7,13H,8-10H2,1-3H3
InChIKeyFIYUETCDXQTLNL-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942620
1-[2-bromo-1-[2-(3-methoxypropoxy)ethoxy]ethyl]-2-chlorobenzene
CID 103180209
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
1-[2-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-chlorobenzene
CID 102722925
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
1-[[2-bromo-1-(2-chlorophenyl)ethoxy]methyl]-2-fluorobenzene
CID 63933659
N-[2-(2-chlorophenyl)-2-(2-ethoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62105956
1-chloro-2-(2-iodo-1-propoxyethyl)benzene
CID 114772032
1-chloro-2-[1-(2-ethoxyethoxy)-2-iodoethyl]benzene
CID 114772636
1-[2-bromo-1-(2-methylcyclohexyl)oxyethyl]-2-chlorobenzene
CID 63468076
N-[2-(2-chlorophenyl)-2-(3,3-dimethylbutoxy)ethyl]propan-2-amine
CID 66226677
1-(1-bromo-4-ethoxybutan-2-yl)-2-chlorobenzene
CID 79454859

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene?
The IUPAC name of 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene (CID 112589307) is 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene.
What is the SMILES notation for 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene?
The canonical SMILES for 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene is CC(C)(C)OCCOC(CBr)c1ccccc1Cl.
What is the InChIKey of 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene?
The InChIKey is FIYUETCDXQTLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClO2/c1-14(2,3)18-9-8-17-13(10-15)11-6-4-5-7-12(11)16/h4-7,13H,8-10H2,1-3H3.
What are the key properties of 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene?
1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene has a molecular weight of 335.67 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]-2-chlorobenzene is sourced from PubChem (CID 112589307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).