ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate

C11H14O4 — CID 117300125

IUPACethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
SMILESCCOC(=O)C(O)c1cccc(O)c1C
InChIInChI=1S/C11H14O4/c1-3-15-11(14)10(13)8-5-4-6-9(12)7(8)2/h4-6,10,12-13H,3H2,1-2H3
InChIKeyLEFZXXPAKHQXLV-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.30
Rot. Bonds3

About ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate

ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate (PubChem CID 117300125) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
PubChem CID117300125
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
SMILESCCOC(=O)C(O)c1cccc(O)c1C
InChIInChI=1S/C11H14O4/c1-3-15-11(14)10(13)8-5-4-6-9(12)7(8)2/h4-6,10,12-13H,3H2,1-2H3
InChIKeyLEFZXXPAKHQXLV-UHFFFAOYSA-N
XLogP1.30
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
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-[2-(1,2-dihydroxyethyl)phenyl]-2-hydroxyacetate
CID 117352981
ethyl 2-(2,3-dimethyl-1H-indol-7-yl)-2-hydroxyacetate
CID 117370501
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
CID 117439456
ethyl 2-(2-cyanophenyl)-2-hydroxyacetate
CID 75251664
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-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate (CID 117300125) is ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate is CCOC(=O)C(O)c1cccc(O)c1C.
What is the InChIKey of ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate?
The InChIKey is LEFZXXPAKHQXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-11(14)10(13)8-5-4-6-9(12)7(8)2/h4-6,10,12-13H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate?
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate has a molecular weight of 210.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate is sourced from PubChem (CID 117300125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).