ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate

C11H13BrO5 — CID 117490283

IUPACethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(Br)ccc(OC)c1O
InChIInChI=1S/C11H13BrO5/c1-3-17-11(15)10(14)8-6(12)4-5-7(16-2)9(8)13/h4-5,10,13-14H,3H2,1-2H3
InChIKeyYUMLDKQZUWOUFV-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.76
Rot. Bonds4

About ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate

ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117490283) has the molecular formula C11H13BrO5 and a molecular weight of 305.12 g/mol. Its IUPAC name is ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
PubChem CID117490283
Molecular FormulaC11H13BrO5
Molecular Weight305.12 g/mol
Exact Mass303.99
IUPAC Nameethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(Br)ccc(OC)c1O
InChIInChI=1S/C11H13BrO5/c1-3-17-11(15)10(14)8-6(12)4-5-7(16-2)9(8)13/h4-5,10,13-14H,3H2,1-2H3
InChIKeyYUMLDKQZUWOUFV-UHFFFAOYSA-N
XLogP1.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate 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-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989
ethyl 2-hydroxy-2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)acetate
CID 117388878
methyl 2-(6-bromo-2-hydroxy-3-methylphenyl)-2-hydroxyacetate
CID 117439457
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol
CID 171254249
ethyl 2-[2-bromo-6-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117487970
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
2-[(1R)-1-amino-2,2-difluoroethyl]-3-bromo-6-methoxyphenol
CID 131561211
3-bromo-2-[(1S)-1,3-diaminopropyl]-6-methoxyphenol;hydrochloride
CID 171254250
ethyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117490533

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate (CID 117490283) is ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1c(Br)ccc(OC)c1O.
What is the InChIKey of ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is YUMLDKQZUWOUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO5/c1-3-17-11(15)10(14)8-6(12)4-5-7(16-2)9(8)13/h4-5,10,13-14H,3H2,1-2H3.
What are the key properties of ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate?
ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 305.12 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117490283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).