2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone

C16H14BrFO3 — CID 81315134

IUPAC2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)COc1cc(F)cc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-2-20-16-6-4-3-5-14(16)15(19)10-21-13-8-11(17)7-12(18)9-13/h3-9H,2,10H2,1H3
InChIKeyVRVUBDHFXRGYRT-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.25
Rot. Bonds6

About 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone

2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone (PubChem CID 81315134) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
PubChem CID81315134
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)COc1cc(F)cc(Br)c1
InChIInChI=1S/C16H14BrFO3/c1-2-20-16-6-4-3-5-14(16)15(19)10-21-13-8-11(17)7-12(18)9-13/h3-9H,2,10H2,1H3
InChIKeyVRVUBDHFXRGYRT-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 62029870
2-(3-bromo-5-fluorophenoxy)-1-phenylethanone
CID 81332556
2-(2,5-difluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 63269700
1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 63649372
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
2-(3-bromo-5-fluorophenoxy)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 81331985
2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 61229921
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-bromo-5-fluorophenoxy)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 81315368

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone (CID 81315134) is 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)COc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is VRVUBDHFXRGYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-2-20-16-6-4-3-5-14(16)15(19)10-21-13-8-11(17)7-12(18)9-13/h3-9H,2,10H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone?
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 353.19 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 81315134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).