ethyl 2-(2-bromo-5-ethoxyphenyl)acetate

C12H15BrO3 — CID 150760921

IUPACethyl 2-(2-bromo-5-ethoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(OCC)ccc1Br
InChIInChI=1S/C12H15BrO3/c1-3-15-10-5-6-11(13)9(7-10)8-12(14)16-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyJXUVHCAVZABHDA-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.95
Rot. Bonds5

About ethyl 2-(2-bromo-5-ethoxyphenyl)acetate

ethyl 2-(2-bromo-5-ethoxyphenyl)acetate (PubChem CID 150760921) has the molecular formula C12H15BrO3 and a molecular weight of 287.15 g/mol. Its IUPAC name is ethyl 2-(2-bromo-5-ethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-5-ethoxyphenyl)acetate
PubChem CID150760921
Molecular FormulaC12H15BrO3
Molecular Weight287.15 g/mol
Exact Mass286.02
IUPAC Nameethyl 2-(2-bromo-5-ethoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(OCC)ccc1Br
InChIInChI=1S/C12H15BrO3/c1-3-15-10-5-6-11(13)9(7-10)8-12(14)16-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyJXUVHCAVZABHDA-UHFFFAOYSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2-bromo-5-ethoxyphenyl)acetate 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

ethyl 2-(2-bromo-5-cyanophenyl)acetate
CID 134652096
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
ethyl 3-[2-bromo-5-(trifluoromethoxy)phenyl]propanoate
CID 134632420
ethyl 2-(4-bromo-5-formyl-2-methylphenyl)acetate
CID 171010282
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 5-(bromomethoxy)-2-(2-ethoxy-2-oxoethyl)benzoate
CID 54147311
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
ethyl 4-(4-bromo-3-methylphenoxy)-3-oxobutanoate
CID 83140810
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-(2-bromo-5-methyl-4-pyridinyl)acetate
CID 133098009

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-5-ethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-5-ethoxyphenyl)acetate (CID 150760921) is ethyl 2-(2-bromo-5-ethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-5-ethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-5-ethoxyphenyl)acetate is CCOC(=O)Cc1cc(OCC)ccc1Br.
What is the InChIKey of ethyl 2-(2-bromo-5-ethoxyphenyl)acetate?
The InChIKey is JXUVHCAVZABHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO3/c1-3-15-10-5-6-11(13)9(7-10)8-12(14)16-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-(2-bromo-5-ethoxyphenyl)acetate?
ethyl 2-(2-bromo-5-ethoxyphenyl)acetate has a molecular weight of 287.15 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-5-ethoxyphenyl)acetate is sourced from PubChem (CID 150760921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).