1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone

C15H12Br2O3 — CID 104707843

IUPAC1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
SMILESCOc1ccc(Oc2ccc(Br)cc2C(C)=O)c(Br)c1
InChIInChI=1S/C15H12Br2O3/c1-9(18)12-7-10(16)3-5-14(12)20-15-6-4-11(19-2)8-13(15)17/h3-8H,1-2H3
InChIKeyBOIQWCWLBWEUQE-UHFFFAOYSA-N
MW400.07 g/mol
LogP5.22
Rot. Bonds4

About 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone

1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone (PubChem CID 104707843) has the molecular formula C15H12Br2O3 and a molecular weight of 400.07 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
PubChem CID104707843
Molecular FormulaC15H12Br2O3
Molecular Weight400.07 g/mol
Exact Mass397.92
IUPAC Name1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
SMILESCOc1ccc(Oc2ccc(Br)cc2C(C)=O)c(Br)c1
InChIInChI=1S/C15H12Br2O3/c1-9(18)12-7-10(16)3-5-14(12)20-15-6-4-11(19-2)8-13(15)17/h3-8H,1-2H3
InChIKeyBOIQWCWLBWEUQE-UHFFFAOYSA-N
XLogP5.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.07
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104707938
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
CID 114891095

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone (CID 104707843) is 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone is COc1ccc(Oc2ccc(Br)cc2C(C)=O)c(Br)c1.
What is the InChIKey of 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone?
The InChIKey is BOIQWCWLBWEUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O3/c1-9(18)12-7-10(16)3-5-14(12)20-15-6-4-11(19-2)8-13(15)17/h3-8H,1-2H3.
What are the key properties of 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone?
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone has a molecular weight of 400.07 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone is sourced from PubChem (CID 104707843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).