2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone

C15H12BrFO2 — CID 114674097

IUPAC2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H12BrFO2/c1-10-2-4-11(5-3-10)14(18)9-19-15-8-12(16)6-7-13(15)17/h2-8H,9H2,1H3
InChIKeyAWKZCVUYSHUPEY-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.16
Rot. Bonds4

About 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone

2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone (PubChem CID 114674097) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
PubChem CID114674097
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H12BrFO2/c1-10-2-4-11(5-3-10)14(18)9-19-15-8-12(16)6-7-13(15)17/h2-8H,9H2,1H3
InChIKeyAWKZCVUYSHUPEY-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
2-(5-bromo-2,3-difluorophenoxy)-1-(4-bromophenyl)ethanone
CID 107100337
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
3-(5-bromo-2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 114674148
2-(5-bromo-2-fluorophenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 115918544
2-(5-bromo-2-fluorophenoxy)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 114674086
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(5-bromo-2-methylphenoxy)-1-(4-ethoxyphenyl)ethanone
CID 107285034
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
3-fluoro-4-[2-(4-methylphenyl)-2-oxoethoxy]benzonitrile
CID 103793465
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone (CID 114674097) is 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)COc2cc(Br)ccc2F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone?
The InChIKey is AWKZCVUYSHUPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-10-2-4-11(5-3-10)14(18)9-19-15-8-12(16)6-7-13(15)17/h2-8H,9H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone?
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone has a molecular weight of 323.16 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 114674097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).