ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate

C12H16O5 — CID 117352981

IUPACethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1C(O)CO
InChIInChI=1S/C12H16O5/c1-2-17-12(16)11(15)9-6-4-3-5-8(9)10(14)7-13/h3-6,10-11,13-15H,2,7H2,1H3
InChIKeyMHPWCROAEDQALV-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.31
Rot. Bonds5

About ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate

ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate (PubChem CID 117352981) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
PubChem CID117352981
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccccc1C(O)CO
InChIInChI=1S/C12H16O5/c1-2-17-12(16)11(15)9-6-4-3-5-8(9)10(14)7-13/h3-6,10-11,13-15H,2,7H2,1H3
InChIKeyMHPWCROAEDQALV-UHFFFAOYSA-N
XLogP0.31
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
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ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
diethyl 2-[amino-[2-(1-amino-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methyl]propanedioate
CID 54350846
ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
ethyl 2-hydroxy-2-[2-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117369882

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate (CID 117352981) is ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccccc1C(O)CO.
What is the InChIKey of ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate?
The InChIKey is MHPWCROAEDQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-2-17-12(16)11(15)9-6-4-3-5-8(9)10(14)7-13/h3-6,10-11,13-15H,2,7H2,1H3.
What are the key properties of ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate has a molecular weight of 240.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117352981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).