ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate

C11H14O5 — CID 13115526

IUPACethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)c1ccc(O)cc1O
InChIInChI=1S/C11H14O5/c1-3-16-10(14)11(2,15)8-5-4-7(12)6-9(8)13/h4-6,12-13,15H,3H2,1-2H3
InChIKeySBUMXZRTMJYZDT-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.87
Rot. Bonds3

About ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate

ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate (PubChem CID 13115526) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate
PubChem CID13115526
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)c1ccc(O)cc1O
InChIInChI=1S/C11H14O5/c1-3-16-10(14)11(2,15)8-5-4-7(12)6-9(8)13/h4-6,12-13,15H,3H2,1-2H3
InChIKeySBUMXZRTMJYZDT-UHFFFAOYSA-N
XLogP0.87
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate?
The IUPAC name of ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate (CID 13115526) is ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate is CCOC(=O)C(C)(O)c1ccc(O)cc1O.
What is the InChIKey of ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate?
The InChIKey is SBUMXZRTMJYZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-16-10(14)11(2,15)8-5-4-7(12)6-9(8)13/h4-6,12-13,15H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate?
ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate has a molecular weight of 226.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dihydroxyphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 13115526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).