ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate

C18H19FO4 — CID 14936849

IUPACethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
SMILESCCOC(=O)C(F)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H19FO4/c1-2-23-17(22)18(19,15(20)13-9-5-3-6-10-13)16(21)14-11-7-4-8-12-14/h3-12,15-16,20-21H,2H2,1H3
InChIKeyGEEWMNNNLFWFDI-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.72
Rot. Bonds6

About ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate

ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate (PubChem CID 14936849) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
PubChem CID14936849
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Nameethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate
SMILESCCOC(=O)C(F)(C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C18H19FO4/c1-2-23-17(22)18(19,15(20)13-9-5-3-6-10-13)16(21)14-11-7-4-8-12-14/h3-12,15-16,20-21H,2H2,1H3
InChIKeyGEEWMNNNLFWFDI-UHFFFAOYSA-N
XLogP2.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate (CID 14936849) is ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate is CCOC(=O)C(F)(C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate?
The InChIKey is GEEWMNNNLFWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-2-23-17(22)18(19,15(20)13-9-5-3-6-10-13)16(21)14-11-7-4-8-12-14/h3-12,15-16,20-21H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate?
ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate has a molecular weight of 318.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxy-2-[hydroxy(phenyl)methyl]-3-phenylpropanoate is sourced from PubChem (CID 14936849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).