ethyl 2-(2,3-dibromophenyl)propanoate

C11H12Br2O2 — CID 141245213

IUPACethyl 2-(2,3-dibromophenyl)propanoate
SMILESCCOC(=O)C(C)c1cccc(Br)c1Br
InChIInChI=1S/C11H12Br2O2/c1-3-15-11(14)7(2)8-5-4-6-9(12)10(8)13/h4-7H,3H2,1-2H3
InChIKeyZYOGIGJIRWMERK-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.88
Rot. Bonds3

About ethyl 2-(2,3-dibromophenyl)propanoate

ethyl 2-(2,3-dibromophenyl)propanoate (PubChem CID 141245213) has the molecular formula C11H12Br2O2 and a molecular weight of 336.02 g/mol. Its IUPAC name is ethyl 2-(2,3-dibromophenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,3-dibromophenyl)propanoate
PubChem CID141245213
Molecular FormulaC11H12Br2O2
Molecular Weight336.02 g/mol
Exact Mass333.92
IUPAC Nameethyl 2-(2,3-dibromophenyl)propanoate
SMILESCCOC(=O)C(C)c1cccc(Br)c1Br
InChIInChI=1S/C11H12Br2O2/c1-3-15-11(14)7(2)8-5-4-6-9(12)10(8)13/h4-7H,3H2,1-2H3
InChIKeyZYOGIGJIRWMERK-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
ethyl 3-(2-bromophenyl)butanoate
CID 21217383
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl (3S)-3-amino-3-(2-bromophenyl)-2-fluoropropanoate;hydrochloride
CID 171245544
ethyl 4-(2-bromophenyl)-3,4-dihydroxybutanoate
CID 171898431
potassium;2,3-bis(2-bromophenyl)butanedioic acid;diethyl 2,3-bis(2-bromophenyl)butanedioate;hydroxide
CID 159333671
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
ethyl 2-(3-bromo-2-fluorophenyl)butanoate
CID 106646487
ethyl (2S)-2-(2-amino-4-bromophenyl)propanoate
CID 162468929
methyl 2-amino-6-(1-ethoxy-1-oxopropan-2-yl)benzoate
CID 23120368
ethyl 2-(2-amino-3-nitrophenyl)propanoate
CID 106987675
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dibromophenyl)propanoate?
The IUPAC name of ethyl 2-(2,3-dibromophenyl)propanoate (CID 141245213) is ethyl 2-(2,3-dibromophenyl)propanoate.
What is the SMILES notation for ethyl 2-(2,3-dibromophenyl)propanoate?
The canonical SMILES for ethyl 2-(2,3-dibromophenyl)propanoate is CCOC(=O)C(C)c1cccc(Br)c1Br.
What is the InChIKey of ethyl 2-(2,3-dibromophenyl)propanoate?
The InChIKey is ZYOGIGJIRWMERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2O2/c1-3-15-11(14)7(2)8-5-4-6-9(12)10(8)13/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,3-dibromophenyl)propanoate?
ethyl 2-(2,3-dibromophenyl)propanoate has a molecular weight of 336.02 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dibromophenyl)propanoate is sourced from PubChem (CID 141245213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).