ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate

C11H13BrO3 — CID 134638917

IUPACethyl 3-(3-bromo-5-hydroxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(O)cc(Br)c1
InChIInChI=1S/C11H13BrO3/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7,13H,2-4H2,1H3
InChIKeyMUOINOAZMZIBNA-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.65
Rot. Bonds4

About ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate

ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate (PubChem CID 134638917) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-bromo-5-hydroxyphenyl)propanoate
PubChem CID134638917
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Nameethyl 3-(3-bromo-5-hydroxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(O)cc(Br)c1
InChIInChI=1S/C11H13BrO3/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7,13H,2-4H2,1H3
InChIKeyMUOINOAZMZIBNA-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate (CID 134638917) is ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate is CCOC(=O)CCc1cc(O)cc(Br)c1.
What is the InChIKey of ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate?
The InChIKey is MUOINOAZMZIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h5-7,13H,2-4H2,1H3.
What are the key properties of ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate?
ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate has a molecular weight of 273.13 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate is sourced from PubChem (CID 134638917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).