1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone

C16H14Br2O2 — CID 107724723

IUPAC1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H14Br2O2/c1-9-6-13(7-10(2)16(9)18)20-15-8-12(17)4-5-14(15)11(3)19/h4-8H,1-3H3
InChIKeySWZCBWHWORFSGK-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.82
Rot. Bonds3

About 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone

1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone (PubChem CID 107724723) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
PubChem CID107724723
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H14Br2O2/c1-9-6-13(7-10(2)16(9)18)20-15-8-12(17)4-5-14(15)11(3)19/h4-8H,1-3H3
InChIKeySWZCBWHWORFSGK-UHFFFAOYSA-N
XLogP5.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(3,5-dimethylphenoxy)phenyl]ethanone
CID 82967401
1-[4-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966599
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454
1-[4-bromo-2-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 82971828
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone
CID 82971742
1-[4-bromo-2-(4-butan-2-ylphenoxy)phenyl]ethanone
CID 107665196
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
1-[4-(4-bromo-3,5-dimethylphenoxy)-3-fluorophenyl]ethanone
CID 107724721

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone (CID 107724723) is 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Br)cc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone?
The InChIKey is SWZCBWHWORFSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-9-6-13(7-10(2)16(9)18)20-15-8-12(17)4-5-14(15)11(3)19/h4-8H,1-3H3.
What are the key properties of 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone?
1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone has a molecular weight of 398.09 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone is sourced from PubChem (CID 107724723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).