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

C15H12Br2O2 — CID 107284752

IUPAC1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(Br)ccc2C)c(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-9-3-5-12(16)8-15(9)19-14-6-4-11(10(2)18)7-13(14)17/h3-8H,1-2H3
InChIKeyBYHAHHSLQUTDPV-UHFFFAOYSA-N
MW384.07 g/mol
LogP5.51
Rot. Bonds3

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

1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone (PubChem CID 107284752) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
PubChem CID107284752
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(Br)ccc2C)c(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-9-3-5-12(16)8-15(9)19-14-6-4-11(10(2)18)7-13(14)17/h3-8H,1-2H3
InChIKeyBYHAHHSLQUTDPV-UHFFFAOYSA-N
XLogP5.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.07
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-bromo-2-methylphenoxy)-3-chlorophenyl]ethanone
CID 107284741
1-[3-bromo-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63534112
1-[2-(5-bromo-2-methylphenoxy)-4-pyridinyl]ethanone
CID 107284744
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
3-bromo-4-(5-bromo-2-methylphenoxy)aniline
CID 107283299
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
1-[3-bromo-4-(2-chlorophenoxy)phenyl]ethanone
CID 62908154
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanone
CID 62909860
1-[4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]ethanone
CID 28602673
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527
1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454
1-[3-bromo-4-(4-methyl-2-nitrophenoxy)phenyl]ethanone
CID 62909886

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone (CID 107284752) is 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2cc(Br)ccc2C)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone?
The InChIKey is BYHAHHSLQUTDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2O2/c1-9-3-5-12(16)8-15(9)19-14-6-4-11(10(2)18)7-13(14)17/h3-8H,1-2H3.
What are the key properties of 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone?
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone has a molecular weight of 384.07 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 107284752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).