ethyl 2-hydroxy-3-phenylpropanoate

C11H14O3 — CID 6429708

IUPACethyl 2-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyHBOGUIFRIAXYNB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds4

About ethyl 2-hydroxy-3-phenylpropanoate

ethyl 2-hydroxy-3-phenylpropanoate (PubChem CID 6429708) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-phenylpropanoate
PubChem CID6429708
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 2-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)C(O)Cc1ccccc1
InChIInChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3
InChIKeyHBOGUIFRIAXYNB-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl 2-hydroxy-3-phenylpropanoate (CID 6429708) is ethyl 2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-phenylpropanoate is CCOC(=O)C(O)Cc1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-3-phenylpropanoate?
The InChIKey is HBOGUIFRIAXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3.
What are the key properties of ethyl 2-hydroxy-3-phenylpropanoate?
ethyl 2-hydroxy-3-phenylpropanoate has a molecular weight of 194.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 6429708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).