ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate

C11H12BrFO4 — CID 117492087

IUPACethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(F)c(Br)c1OC
InChIInChI=1S/C11H12BrFO4/c1-3-17-11(15)9(14)6-4-5-7(13)8(12)10(6)16-2/h4-5,9,14H,3H2,1-2H3
InChIKeyIJOZXJNDRDDPCH-UHFFFAOYSA-N
MW307.12 g/mol
LogP2.19
Rot. Bonds4

About ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate

ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117492087) has the molecular formula C11H12BrFO4 and a molecular weight of 307.12 g/mol. Its IUPAC name is ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
PubChem CID117492087
Molecular FormulaC11H12BrFO4
Molecular Weight307.12 g/mol
Exact Mass305.99
IUPAC Nameethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(F)c(Br)c1OC
InChIInChI=1S/C11H12BrFO4/c1-3-17-11(15)9(14)6-4-5-7(13)8(12)10(6)16-2/h4-5,9,14H,3H2,1-2H3
InChIKeyIJOZXJNDRDDPCH-UHFFFAOYSA-N
XLogP2.19
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-bromo-4-fluoro-2-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-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831
methyl 2-(4-fluoro-2-methoxy-3-methylphenyl)-2-hydroxyacetate
CID 117328411
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
2-(3-bromo-4-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902053
ethyl 2-(3-bromo-2-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117492085
ethyl 2-(2-bromo-3-chloro-6-fluorophenyl)-2-hydroxyacetate
CID 117496369
ethyl 2-hydroxy-2-(4-methoxy-1-methylindol-5-yl)acetate
CID 117412360
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117443299

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate (CID 117492087) is ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(F)c(Br)c1OC.
What is the InChIKey of ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is IJOZXJNDRDDPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO4/c1-3-17-11(15)9(14)6-4-5-7(13)8(12)10(6)16-2/h4-5,9,14H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate?
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 307.12 g/mol, XLogP of 2.19, 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-fluoro-2-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117492087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).