2-(3-bromophenoxy)ethyl 2-phenoxyacetate

C16H15BrO4 — CID 55313634

IUPAC2-(3-bromophenoxy)ethyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCCOc1cccc(Br)c1
InChIInChI=1S/C16H15BrO4/c17-13-5-4-8-15(11-13)19-9-10-20-16(18)12-21-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2
InChIKeyJLAPBHYQUKZIAJ-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.45
Rot. Bonds7

About 2-(3-bromophenoxy)ethyl 2-phenoxyacetate

2-(3-bromophenoxy)ethyl 2-phenoxyacetate (PubChem CID 55313634) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(3-bromophenoxy)ethyl 2-phenoxyacetate.

Molecular Properties

Compound Name2-(3-bromophenoxy)ethyl 2-phenoxyacetate
PubChem CID55313634
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name2-(3-bromophenoxy)ethyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCCOc1cccc(Br)c1
InChIInChI=1S/C16H15BrO4/c17-13-5-4-8-15(11-13)19-9-10-20-16(18)12-21-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2
InChIKeyJLAPBHYQUKZIAJ-UHFFFAOYSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenoxy)ethyl 2-phenoxyacetate 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-bromophenoxy)ethyl 2-(4-cyanophenoxy)acetate
CID 9140855
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
2-methylpropyl 2-(3-bromophenoxy)acetate
CID 142449056
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326832
(2-amino-2-oxo-1-phenylethyl) 2-(3-bromophenoxy)acetate
CID 16595671
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
[2-(benzylamino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate
CID 7212135
sodium 2-(3-bromophenoxy)acetate
CID 19205570
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(3-bromophenoxy)acetate
CID 7694597

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)ethyl 2-phenoxyacetate?
The IUPAC name of 2-(3-bromophenoxy)ethyl 2-phenoxyacetate (CID 55313634) is 2-(3-bromophenoxy)ethyl 2-phenoxyacetate.
What is the SMILES notation for 2-(3-bromophenoxy)ethyl 2-phenoxyacetate?
The canonical SMILES for 2-(3-bromophenoxy)ethyl 2-phenoxyacetate is O=C(COc1ccccc1)OCCOc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)ethyl 2-phenoxyacetate?
The InChIKey is JLAPBHYQUKZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c17-13-5-4-8-15(11-13)19-9-10-20-16(18)12-21-14-6-2-1-3-7-14/h1-8,11H,9-10,12H2.
What are the key properties of 2-(3-bromophenoxy)ethyl 2-phenoxyacetate?
2-(3-bromophenoxy)ethyl 2-phenoxyacetate has a molecular weight of 351.20 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)ethyl 2-phenoxyacetate is sourced from PubChem (CID 55313634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).