ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate

C11H13FO3 — CID 127032413

IUPACethyl 2-(4-fluorophenyl)-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c1-2-15-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3
InChIKeyWRKIWCCKDJVOEW-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.46
Rot. Bonds4

About ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate

ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate (PubChem CID 127032413) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-3-hydroxypropanoate
PubChem CID127032413
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Nameethyl 2-(4-fluorophenyl)-3-hydroxypropanoate
SMILESCCOC(=O)C(CO)c1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c1-2-15-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3
InChIKeyWRKIWCCKDJVOEW-UHFFFAOYSA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate (CID 127032413) is ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate is CCOC(=O)C(CO)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate?
The InChIKey is WRKIWCCKDJVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-15-11(14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10,13H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate?
ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate has a molecular weight of 212.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 127032413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).