[2-(3-bromophenyl)-2-oxoethyl] propanoate

C11H11BrO3 — CID 174958294

IUPAC[2-(3-bromophenyl)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrO3/c1-2-11(14)15-7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
InChIKeyBWUZGZWSMQGAEQ-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.59
Rot. Bonds4

About [2-(3-bromophenyl)-2-oxoethyl] propanoate

[2-(3-bromophenyl)-2-oxoethyl] propanoate (PubChem CID 174958294) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is [2-(3-bromophenyl)-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-(3-bromophenyl)-2-oxoethyl] propanoate
PubChem CID174958294
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name[2-(3-bromophenyl)-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H11BrO3/c1-2-11(14)15-7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3
InChIKeyBWUZGZWSMQGAEQ-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

Analyze [2-(3-bromophenyl)-2-oxoethyl] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
[2-(3-bromophenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2404662
[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23856812
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
[2-(3-bromophenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 23939872
[2-(3-bromophenyl)-2-oxoethyl] 3-cyclopentylpropanoate
CID 23733164
[2-(3-bromophenyl)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284665
[2-(3-bromophenyl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416477
1-(3-bromophenyl)butan-1-one
CID 18417701
[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873534
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31667006
[2-(3-bromophenyl)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23856170

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] propanoate?
The IUPAC name of [2-(3-bromophenyl)-2-oxoethyl] propanoate (CID 174958294) is [2-(3-bromophenyl)-2-oxoethyl] propanoate.
What is the SMILES notation for [2-(3-bromophenyl)-2-oxoethyl] propanoate?
The canonical SMILES for [2-(3-bromophenyl)-2-oxoethyl] propanoate is CCC(=O)OCC(=O)c1cccc(Br)c1.
What is the InChIKey of [2-(3-bromophenyl)-2-oxoethyl] propanoate?
The InChIKey is BWUZGZWSMQGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-2-11(14)15-7-10(13)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3.
What are the key properties of [2-(3-bromophenyl)-2-oxoethyl] propanoate?
[2-(3-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-(3-bromophenyl)-2-oxoethyl] propanoate is sourced from PubChem (CID 174958294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).