ethyl 2-hydroxy-2-phenylacetate

C10H12O3 — CID 90673198

IUPACethyl 2-hydroxy-2-phenylacetate
SMILESCCO[11C](=O)C(O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/i10-1
InChIKeySAXHIDRUJXPDOD-LMANFOLPSA-N
MW179.20 g/mol
LogP1.28
Rot. Bonds3

About ethyl 2-hydroxy-2-phenylacetate

ethyl 2-hydroxy-2-phenylacetate (PubChem CID 90673198) has the molecular formula C10H12O3 and a molecular weight of 179.20 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-phenylacetate
PubChem CID90673198
Molecular FormulaC10H12O3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Nameethyl 2-hydroxy-2-phenylacetate
SMILESCCO[11C](=O)C(O)c1ccccc1
InChIInChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/i10-1
InChIKeySAXHIDRUJXPDOD-LMANFOLPSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
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 ethyl 2-hydroxy-2-phenylacetate?
The IUPAC name of ethyl 2-hydroxy-2-phenylacetate (CID 90673198) is ethyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for ethyl 2-hydroxy-2-phenylacetate is CCO[11C](=O)C(O)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-2-phenylacetate?
The InChIKey is SAXHIDRUJXPDOD-LMANFOLPSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/i10-1.
What are the key properties of ethyl 2-hydroxy-2-phenylacetate?
ethyl 2-hydroxy-2-phenylacetate has a molecular weight of 179.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 90673198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).