methyl 2-(2-bromoacetyl)oxy-2-phenylacetate

C11H11BrO4 — CID 87076248

IUPACmethyl 2-(2-bromoacetyl)oxy-2-phenylacetate
SMILESCOC(=O)C(OC(=O)CBr)c1ccccc1
InChIInChI=1S/C11H11BrO4/c1-15-11(14)10(16-9(13)7-12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyZNRYRVAOJBHDSY-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.84
Rot. Bonds4

About methyl 2-(2-bromoacetyl)oxy-2-phenylacetate

methyl 2-(2-bromoacetyl)oxy-2-phenylacetate (PubChem CID 87076248) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is methyl 2-(2-bromoacetyl)oxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-bromoacetyl)oxy-2-phenylacetate
PubChem CID87076248
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Namemethyl 2-(2-bromoacetyl)oxy-2-phenylacetate
SMILESCOC(=O)C(OC(=O)CBr)c1ccccc1
InChIInChI=1S/C11H11BrO4/c1-15-11(14)10(16-9(13)7-12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyZNRYRVAOJBHDSY-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 2-(2-bromoacetyl)oxy-2-phenylacetate 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-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-[4-(bromomethyl)-2,6-dichlorophenoxy]-2-phenylacetate
CID 19385677
(2-methoxy-2-oxo-1-phenylethyl) 2-chlorobenzoate
CID 177426397
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
methyl 2-(2-amino-2-methylpropoxy)-2-phenylacetate
CID 82353260

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromoacetyl)oxy-2-phenylacetate?
The IUPAC name of methyl 2-(2-bromoacetyl)oxy-2-phenylacetate (CID 87076248) is methyl 2-(2-bromoacetyl)oxy-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-bromoacetyl)oxy-2-phenylacetate?
The canonical SMILES for methyl 2-(2-bromoacetyl)oxy-2-phenylacetate is COC(=O)C(OC(=O)CBr)c1ccccc1.
What is the InChIKey of methyl 2-(2-bromoacetyl)oxy-2-phenylacetate?
The InChIKey is ZNRYRVAOJBHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-15-11(14)10(16-9(13)7-12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3.
What are the key properties of methyl 2-(2-bromoacetyl)oxy-2-phenylacetate?
methyl 2-(2-bromoacetyl)oxy-2-phenylacetate has a molecular weight of 287.11 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromoacetyl)oxy-2-phenylacetate is sourced from PubChem (CID 87076248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).