[2-(4-bromophenyl)-2-oxoethyl] propanoate

C11H11BrO3 — CID 603128

IUPAC[2-(4-bromophenyl)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c1-2-11(14)15-7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKeyUYFWVJLISVTMTK-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.59
Rot. Bonds4

About [2-(4-bromophenyl)-2-oxoethyl] propanoate

[2-(4-bromophenyl)-2-oxoethyl] propanoate (PubChem CID 603128) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] propanoate
PubChem CID603128
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c1-2-11(14)15-7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKeyUYFWVJLISVTMTK-UHFFFAOYSA-N
XLogP2.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] propanoate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] propanoate (CID 603128) is [2-(4-bromophenyl)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] propanoate?
The InChIKey is UYFWVJLISVTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-2-11(14)15-7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] propanoate?
[2-(4-bromophenyl)-2-oxoethyl] propanoate has a molecular weight of 271.11 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] propanoate is sourced from PubChem (CID 603128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).