sodium;ethyl 2-hydroxy-2-phenylacetate;hydride

C10H13NaO3 — CID 175364908

IUPACsodium;ethyl 2-hydroxy-2-phenylacetate;hydride
SMILESCCOC(=O)C(O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H12O3.Na.H/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;;/h3-7,9,11H,2H2,1H3;;/q;+1;-1
InChIKeyUWTQSXZRCHOTAA-UHFFFAOYSA-N
MW204.20 g/mol
LogP-1.60
Rot. Bonds3

About sodium;ethyl 2-hydroxy-2-phenylacetate;hydride

sodium;ethyl 2-hydroxy-2-phenylacetate;hydride (PubChem CID 175364908) has the molecular formula C10H13NaO3 and a molecular weight of 204.20 g/mol. Its IUPAC name is sodium;ethyl 2-hydroxy-2-phenylacetate;hydride.

Molecular Properties

Compound Namesodium;ethyl 2-hydroxy-2-phenylacetate;hydride
PubChem CID175364908
Molecular FormulaC10H13NaO3
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Namesodium;ethyl 2-hydroxy-2-phenylacetate;hydride
SMILESCCOC(=O)C(O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H12O3.Na.H/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;;/h3-7,9,11H,2H2,1H3;;/q;+1;-1
InChIKeyUWTQSXZRCHOTAA-UHFFFAOYSA-N
XLogP-1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195
pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl (2S)-2-(4-bromophenyl)-2-hydroxyacetate
CID 94376499
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl (2S)-2-(4-tert-butylphenyl)-2-hydroxyacetate
CID 94376486

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 2-hydroxy-2-phenylacetate;hydride?
The IUPAC name of sodium;ethyl 2-hydroxy-2-phenylacetate;hydride (CID 175364908) is sodium;ethyl 2-hydroxy-2-phenylacetate;hydride.
What is the SMILES notation for sodium;ethyl 2-hydroxy-2-phenylacetate;hydride?
The canonical SMILES for sodium;ethyl 2-hydroxy-2-phenylacetate;hydride is CCOC(=O)C(O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;ethyl 2-hydroxy-2-phenylacetate;hydride?
The InChIKey is UWTQSXZRCHOTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.Na.H/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;;/h3-7,9,11H,2H2,1H3;;/q;+1;-1.
What are the key properties of sodium;ethyl 2-hydroxy-2-phenylacetate;hydride?
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride has a molecular weight of 204.20 g/mol, XLogP of -1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethyl 2-hydroxy-2-phenylacetate;hydride is sourced from PubChem (CID 175364908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).