[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate

C18H17BrO6 — CID 7694899

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C18H17BrO6/c1-22-13-6-7-15(17(9-13)23-2)16(20)10-25-18(21)11-24-14-5-3-4-12(19)8-14/h3-9H,10-11H2,1-2H3
InChIKeyQNQSQPLHDJEGAH-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.27
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (PubChem CID 7694899) has the molecular formula C18H17BrO6 and a molecular weight of 409.23 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
PubChem CID7694899
Molecular FormulaC18H17BrO6
Molecular Weight409.23 g/mol
Exact Mass408.02
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESCOc1ccc(C(=O)COC(=O)COc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C18H17BrO6/c1-22-13-6-7-15(17(9-13)23-2)16(20)10-25-18(21)11-24-14-5-3-4-12(19)8-14/h3-9H,10-11H2,1-2H3
InChIKeyQNQSQPLHDJEGAH-UHFFFAOYSA-N
XLogP3.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2096449
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(3-bromophenoxy)acetate
CID 7694597
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
(7-methoxynaphthalen-2-yl) 2-(3-bromophenoxy)acetate
CID 7581544
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694694
2-(3-bromophenoxy)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7930574
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970486
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7628495

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate (CID 7694899) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is COc1ccc(C(=O)COC(=O)COc2cccc(Br)c2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The InChIKey is QNQSQPLHDJEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO6/c1-22-13-6-7-15(17(9-13)23-2)16(20)10-25-18(21)11-24-14-5-3-4-12(19)8-14/h3-9H,10-11H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate has a molecular weight of 409.23 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 7694899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).