ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate

C11H12F2O5 — CID 171866057

IUPACethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cc(O)c(F)c(F)c1
InChIInChI=1S/C11H12F2O5/c1-2-18-11(17)10(16)9(15)5-3-6(12)8(13)7(14)4-5/h3-4,9-10,14-16H,2H2,1H3
InChIKeyBJLSOSFQWXXERN-UHFFFAOYSA-N
MW262.21 g/mol
LogP0.63
Rot. Bonds4

About ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate

ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate (PubChem CID 171866057) has the molecular formula C11H12F2O5 and a molecular weight of 262.21 g/mol. Its IUPAC name is ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate
PubChem CID171866057
Molecular FormulaC11H12F2O5
Molecular Weight262.21 g/mol
Exact Mass262.07
IUPAC Nameethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1cc(O)c(F)c(F)c1
InChIInChI=1S/C11H12F2O5/c1-2-18-11(17)10(16)9(15)5-3-6(12)8(13)7(14)4-5/h3-4,9-10,14-16H,2H2,1H3
InChIKeyBJLSOSFQWXXERN-UHFFFAOYSA-N
XLogP0.63
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate 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 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171865985
ethyl 2,3-dihydroxy-3-(3-hydroxy-5-methylphenyl)propanoate
CID 171865738
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl 2,3-dihydroxy-3-(4-methoxy-3,5-dimethylphenyl)propanoate
CID 171866441
methyl 3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-5-fluorobenzoate
CID 171866654
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 3-(3-carbamoyl-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866564
methyl 3-(4-bromo-3,5-difluorophenyl)-2,3-dihydroxypropanoate
CID 171865169
ethyl 3-(3,4-difluorophenyl)-2-hydroxybutanoate
CID 66287955

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate (CID 171866057) is ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1cc(O)c(F)c(F)c1.
What is the InChIKey of ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate?
The InChIKey is BJLSOSFQWXXERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O5/c1-2-18-11(17)10(16)9(15)5-3-6(12)8(13)7(14)4-5/h3-4,9-10,14-16H,2H2,1H3.
What are the key properties of ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate?
ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate has a molecular weight of 262.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171866057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).