ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate

C10H12O5 — CID 10198230

IUPACethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(O)c1O
InChIInChI=1S/C10H12O5/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5,9,11-13H,2H2,1H3
InChIKeyUVWOFPAASXVNJN-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.69
Rot. Bonds3

About ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate

ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate (PubChem CID 10198230) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
PubChem CID10198230
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(O)c1O
InChIInChI=1S/C10H12O5/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5,9,11-13H,2H2,1H3
InChIKeyUVWOFPAASXVNJN-UHFFFAOYSA-N
XLogP0.69
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
ethyl 2-(3-tert-butyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117383969
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
CID 117352981
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
CID 117439456
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
CID 117362052
ethyl 2-(3,4-dihydro-1H-isochromen-5-yl)-2-hydroxyacetate
CID 117344571

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate (CID 10198230) is ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(O)c1O.
What is the InChIKey of ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate?
The InChIKey is UVWOFPAASXVNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-2-15-10(14)9(13)6-4-3-5-7(11)8(6)12/h3-5,9,11-13H,2H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate?
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate has a molecular weight of 212.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 10198230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).