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

C15H13BrO2 — CID 107284751

IUPAC1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1cc(Br)ccc1C
InChIInChI=1S/C15H13BrO2/c1-10-7-8-12(16)9-15(10)18-14-6-4-3-5-13(14)11(2)17/h3-9H,1-2H3
InChIKeyUEHASCJUJOHCFQ-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.75
Rot. Bonds3

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

1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone (PubChem CID 107284751) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
PubChem CID107284751
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1Oc1cc(Br)ccc1C
InChIInChI=1S/C15H13BrO2/c1-10-7-8-12(16)9-15(10)18-14-6-4-3-5-13(14)11(2)17/h3-9H,1-2H3
InChIKeyUEHASCJUJOHCFQ-UHFFFAOYSA-N
XLogP4.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527
1-[4-bromo-2-(2-propoxyphenoxy)phenyl]ethanone
CID 82956146
1-[2-(2,4-dimethylphenoxy)phenyl]ethanone
CID 14797515
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284752
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
1-[4-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966600
1-[4-bromo-2-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanone
CID 107724723
1-[4-(5-bromo-2-methylphenoxy)-3-chlorophenyl]ethanone
CID 107284741
4-bromo-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102987538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone (CID 107284751) is 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone is CC(=O)c1ccccc1Oc1cc(Br)ccc1C.
What is the InChIKey of 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone?
The InChIKey is UEHASCJUJOHCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-10-7-8-12(16)9-15(10)18-14-6-4-3-5-13(14)11(2)17/h3-9H,1-2H3.
What are the key properties of 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone?
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone has a molecular weight of 305.17 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 107284751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).