ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate

C10H11BrO4 — CID 57431966

IUPACethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(O)c(Br)c1
InChIInChI=1S/C10H11BrO4/c1-2-14-10(13)6-15-7-3-4-9(12)8(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyJVMZPMCPSNHLCP-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.10
Rot. Bonds4

About ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate

ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate (PubChem CID 57431966) has the molecular formula C10H11BrO4 and a molecular weight of 275.10 g/mol. Its IUPAC name is ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
PubChem CID57431966
Molecular FormulaC10H11BrO4
Molecular Weight275.10 g/mol
Exact Mass273.98
IUPAC Nameethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
SMILESCCOC(=O)COc1ccc(O)c(Br)c1
InChIInChI=1S/C10H11BrO4/c1-2-14-10(13)6-15-7-3-4-9(12)8(11)5-7/h3-5,12H,2,6H2,1H3
InChIKeyJVMZPMCPSNHLCP-UHFFFAOYSA-N
XLogP2.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate
CID 71378315
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
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ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
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2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 4-(4-bromo-3-methylphenoxy)-3-oxobutanoate
CID 83140810
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082
ethyl 2-(2-bromo-5-ethoxyphenyl)acetate
CID 150760921
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
ethyl 2-[6-(cyanomethyl)naphthalen-2-yl]oxyacetate
CID 170886250
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate?
The IUPAC name of ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate (CID 57431966) is ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate?
The canonical SMILES for ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate is CCOC(=O)COc1ccc(O)c(Br)c1.
What is the InChIKey of ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate?
The InChIKey is JVMZPMCPSNHLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO4/c1-2-14-10(13)6-15-7-3-4-9(12)8(11)5-7/h3-5,12H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate?
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate has a molecular weight of 275.10 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate is sourced from PubChem (CID 57431966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).