1-(5-bromo-2,4-diethoxyphenyl)ethanone

C12H15BrO3 — CID 17245123

IUPAC1-(5-bromo-2,4-diethoxyphenyl)ethanone
SMILESCCOc1cc(OCC)c(C(C)=O)cc1Br
InChIInChI=1S/C12H15BrO3/c1-4-15-11-7-12(16-5-2)10(13)6-9(11)8(3)14/h6-7H,4-5H2,1-3H3
InChIKeyGWTKLTSYIUAVMZ-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.45
Rot. Bonds5

About 1-(5-bromo-2,4-diethoxyphenyl)ethanone

1-(5-bromo-2,4-diethoxyphenyl)ethanone (PubChem CID 17245123) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(5-bromo-2,4-diethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2,4-diethoxyphenyl)ethanone
PubChem CID17245123
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Name1-(5-bromo-2,4-diethoxyphenyl)ethanone
SMILESCCOc1cc(OCC)c(C(C)=O)cc1Br
InChIInChI=1S/C12H15BrO3/c1-4-15-11-7-12(16-5-2)10(13)6-9(11)8(3)14/h6-7H,4-5H2,1-3H3
InChIKeyGWTKLTSYIUAVMZ-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-ethoxy-2-nitrophenyl)ethanone
CID 171000695
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
1-(2-amino-5-bromo-4-ethoxyphenyl)propan-1-one
CID 175263990
5-acetyl-4-bromo-2-ethoxybenzaldehyde
CID 171001056
1-(4-amino-2-ethoxyphenyl)ethanone
CID 53402816
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-(2-ethoxy-4-iodophenyl)ethanone
CID 170996658
methyl 5-bromo-2,4-dipropoxybenzoate
CID 82550686
ethyl 4-acetamido-5-bromo-2-ethoxybenzoate
CID 162515859
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298
4-bromo-2-ethoxy-5-fluorobenzoic acid
CID 130090927
1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
CID 171000856

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-diethoxyphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2,4-diethoxyphenyl)ethanone (CID 17245123) is 1-(5-bromo-2,4-diethoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2,4-diethoxyphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2,4-diethoxyphenyl)ethanone is CCOc1cc(OCC)c(C(C)=O)cc1Br.
What is the InChIKey of 1-(5-bromo-2,4-diethoxyphenyl)ethanone?
The InChIKey is GWTKLTSYIUAVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-4-15-11-7-12(16-5-2)10(13)6-9(11)8(3)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-2,4-diethoxyphenyl)ethanone?
1-(5-bromo-2,4-diethoxyphenyl)ethanone has a molecular weight of 287.15 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-diethoxyphenyl)ethanone is sourced from PubChem (CID 17245123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).