2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone

C16H15BrO3 — CID 62029870

IUPAC2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO3/c1-2-19-16-6-4-3-5-14(16)15(18)11-20-13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3
InChIKeyGBSOYULLIBCVMD-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.11
Rot. Bonds6

About 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone

2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone (PubChem CID 62029870) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
PubChem CID62029870
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone
SMILESCCOc1ccccc1C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H15BrO3/c1-2-19-16-6-4-3-5-14(16)15(18)11-20-13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3
InChIKeyGBSOYULLIBCVMD-UHFFFAOYSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
1-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 61229921
1-(2-ethoxyphenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 63649372
2-(3-bromo-5-fluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 81315134
2-(4-bromophenyl)-1-(2-ethoxyphenyl)ethanone
CID 61056257
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
(4-bromophenyl) 2-(2-ethoxyphenoxy)acetate
CID 19179036
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 55861535
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-[(3-bromophenyl)methoxy]-1-(2-ethoxyphenyl)ethanone
CID 82808702
1-(2-ethoxyphenyl)-2-(2-fluoro-3-methylphenoxy)ethanone
CID 107659470
2-ethoxybenzoyl bromide
CID 19426336

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone (CID 62029870) is 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone is CCOc1ccccc1C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone?
The InChIKey is GBSOYULLIBCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-2-19-16-6-4-3-5-14(16)15(18)11-20-13-9-7-12(17)8-10-13/h3-10H,2,11H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone?
2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone has a molecular weight of 335.20 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(2-ethoxyphenyl)ethanone is sourced from PubChem (CID 62029870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).