ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate

C13H18O5 — CID 171866052

IUPACethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
SMILESCCOC(=O)C(O)C(O)c1ccccc1CCO
InChIInChI=1S/C13H18O5/c1-2-18-13(17)12(16)11(15)10-6-4-3-5-9(10)7-8-14/h3-6,11-12,14-16H,2,7-8H2,1H3
InChIKeyHXUGYLJPYYEMDT-UHFFFAOYSA-N
MW254.28 g/mol
LogP0.18
Rot. Bonds6

About ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate

ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate (PubChem CID 171866052) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
PubChem CID171866052
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Nameethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate
SMILESCCOC(=O)C(O)C(O)c1ccccc1CCO
InChIInChI=1S/C13H18O5/c1-2-18-13(17)12(16)11(15)10-6-4-3-5-9(10)7-8-14/h3-6,11-12,14-16H,2,7-8H2,1H3
InChIKeyHXUGYLJPYYEMDT-UHFFFAOYSA-N
XLogP0.18
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
ethyl 2,3-dihydroxy-3-(2-sulfanylphenyl)propanoate
CID 171865532
ethyl 3-[2-fluoro-3-(hydroxymethyl)phenyl]-2,3-dihydroxypropanoate
CID 171866017
ethyl 2,3-dihydroxy-3-(2-methylsulfanylphenyl)propanoate
CID 171865642
ethyl 2,3-dihydroxy-3-[2-(trifluoromethyl)phenyl]propanoate
CID 171866347
ethyl 2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 74433580
methyl (2R,3S)-3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanoate
CID 150198821
methyl 2,3-dihydroxy-3-[2-(2-methoxy-2-oxoethyl)phenyl]propanoate
CID 171864626
ethyl 2-fluoro-2-[2-(2-hydroxyethyl)phenoxy]acetate
CID 107711553
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
1-[2-(2-hydroxyethyl)phenyl]butane-1,2,4-triol
CID 171872248

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate (CID 171866052) is ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate is CCOC(=O)C(O)C(O)c1ccccc1CCO.
What is the InChIKey of ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate?
The InChIKey is HXUGYLJPYYEMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-2-18-13(17)12(16)11(15)10-6-4-3-5-9(10)7-8-14/h3-6,11-12,14-16H,2,7-8H2,1H3.
What are the key properties of ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate?
ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate has a molecular weight of 254.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-[2-(2-hydroxyethyl)phenyl]propanoate is sourced from PubChem (CID 171866052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).