2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone

C16H14BrFO2 — CID 83234637

IUPAC2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C16H14BrFO2/c1-10-3-4-12(7-11(10)2)16(19)9-20-13-5-6-15(18)14(17)8-13/h3-8H,9H2,1-2H3
InChIKeyDEIPZOHJLTZWAQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.47
Rot. Bonds4

About 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone

2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone (PubChem CID 83234637) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
PubChem CID83234637
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(F)c(Br)c2)cc1C
InChIInChI=1S/C16H14BrFO2/c1-10-3-4-12(7-11(10)2)16(19)9-20-13-5-6-15(18)14(17)8-13/h3-8H,9H2,1-2H3
InChIKeyDEIPZOHJLTZWAQ-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(3,4-difluorophenoxy)-1-(3,4-difluorophenyl)ethanone
CID 43612522
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)ethanone
CID 105095876
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
2-(3,4-difluorophenoxy)-1-(4-methylphenyl)ethanone
CID 43612523
2-(2-bromo-4-methylphenoxy)-1-(3,4-dimethylphenyl)ethanone
CID 60624093
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
1-(3-fluoro-4-methoxyphenyl)-2-(3-methoxyphenoxy)ethanone
CID 43220187
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-fluoro-4-methylphenoxy)ethanone
CID 107169810

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone (CID 83234637) is 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone is Cc1ccc(C(=O)COc2ccc(F)c(Br)c2)cc1C.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone?
The InChIKey is DEIPZOHJLTZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10-3-4-12(7-11(10)2)16(19)9-20-13-5-6-15(18)14(17)8-13/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone?
2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone has a molecular weight of 337.19 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-1-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 83234637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).