ethyl 3-(2-bromo-4-chlorophenoxy)propanoate

C11H12BrClO3 — CID 43365233

IUPACethyl 3-(2-bromo-4-chlorophenoxy)propanoate
SMILESCCOC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C11H12BrClO3/c1-2-15-11(14)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6H2,1H3
InChIKeyWPOVXXKCERJHML-UHFFFAOYSA-N
MW307.57 g/mol
LogP3.43
Rot. Bonds5

About ethyl 3-(2-bromo-4-chlorophenoxy)propanoate

ethyl 3-(2-bromo-4-chlorophenoxy)propanoate (PubChem CID 43365233) has the molecular formula C11H12BrClO3 and a molecular weight of 307.57 g/mol. Its IUPAC name is ethyl 3-(2-bromo-4-chlorophenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-bromo-4-chlorophenoxy)propanoate
PubChem CID43365233
Molecular FormulaC11H12BrClO3
Molecular Weight307.57 g/mol
Exact Mass305.97
IUPAC Nameethyl 3-(2-bromo-4-chlorophenoxy)propanoate
SMILESCCOC(=O)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C11H12BrClO3/c1-2-15-11(14)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6H2,1H3
InChIKeyWPOVXXKCERJHML-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.57
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-bromo-4-chlorophenoxy)butanoate
CID 91657428
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
ethyl 3-[2-(2,4-dichlorophenoxy)ethyl-methylamino]propanoate
CID 62012022
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
CID 25286
2-[3-(2-bromo-4-chlorophenoxy)propanoyl-methylamino]acetic acid
CID 119346356
ethyl 3-(2,5-difluorophenoxy)propanoate
CID 63268646
ethyl 3-(4-bromo-2-formylphenoxy)propanoate
CID 91656144
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
N-(3-amino-2-methylpropyl)-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119996642
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
ethyl 4-amino-4-(3-bromo-4-ethoxyphenyl)butanoate
CID 104658343
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-bromo-4-chlorophenoxy)propanoate?
The IUPAC name of ethyl 3-(2-bromo-4-chlorophenoxy)propanoate (CID 43365233) is ethyl 3-(2-bromo-4-chlorophenoxy)propanoate.
What is the SMILES notation for ethyl 3-(2-bromo-4-chlorophenoxy)propanoate?
The canonical SMILES for ethyl 3-(2-bromo-4-chlorophenoxy)propanoate is CCOC(=O)CCOc1ccc(Cl)cc1Br.
What is the InChIKey of ethyl 3-(2-bromo-4-chlorophenoxy)propanoate?
The InChIKey is WPOVXXKCERJHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO3/c1-2-15-11(14)5-6-16-10-4-3-8(13)7-9(10)12/h3-4,7H,2,5-6H2,1H3.
What are the key properties of ethyl 3-(2-bromo-4-chlorophenoxy)propanoate?
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate has a molecular weight of 307.57 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-bromo-4-chlorophenoxy)propanoate is sourced from PubChem (CID 43365233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).