1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone

C16H14Br2O3 — CID 63565850

IUPAC1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1c(Br)cccc1Br
InChIInChI=1S/C16H14Br2O3/c1-11(19)12-5-2-3-8-15(12)20-9-10-21-16-13(17)6-4-7-14(16)18/h2-8H,9-10H2,1H3
InChIKeyKVWIBSHHCFAQMQ-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.87
Rot. Bonds6

About 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone

1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone (PubChem CID 63565850) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
PubChem CID63565850
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOc1c(Br)cccc1Br
InChIInChI=1S/C16H14Br2O3/c1-11(19)12-5-2-3-8-15(12)20-9-10-21-16-13(17)6-4-7-14(16)18/h2-8H,9-10H2,1H3
InChIKeyKVWIBSHHCFAQMQ-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
1-[2-(2-iodoethoxy)phenyl]ethanone
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1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[2-[2-(4-bromophenyl)sulfanylethoxy]phenyl]ethanone
CID 43412618
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
1-[2-[2-(3,5-difluorophenoxy)ethoxy]phenyl]ethanone
CID 62400880
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone (CID 63565850) is 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOc1c(Br)cccc1Br.
What is the InChIKey of 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone?
The InChIKey is KVWIBSHHCFAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-11(19)12-5-2-3-8-15(12)20-9-10-21-16-13(17)6-4-7-14(16)18/h2-8H,9-10H2,1H3.
What are the key properties of 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone?
1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone has a molecular weight of 414.09 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone is sourced from PubChem (CID 63565850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).