ethyl 2-hydroxy-2-methoxy-2-phenylacetate

C11H14O4 — CID 163409597

IUPACethyl 2-hydroxy-2-methoxy-2-phenylacetate
SMILESCCOC(=O)C(O)(OC)c1ccccc1
InChIInChI=1S/C11H14O4/c1-3-15-10(12)11(13,14-2)9-7-5-4-6-8-9/h4-8,13H,3H2,1-2H3
InChIKeyDUZPDMRCMZBEPJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.04
Rot. Bonds4

About ethyl 2-hydroxy-2-methoxy-2-phenylacetate

ethyl 2-hydroxy-2-methoxy-2-phenylacetate (PubChem CID 163409597) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-methoxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-methoxy-2-phenylacetate
PubChem CID163409597
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 2-hydroxy-2-methoxy-2-phenylacetate
SMILESCCOC(=O)C(O)(OC)c1ccccc1
InChIInChI=1S/C11H14O4/c1-3-15-10(12)11(13,14-2)9-7-5-4-6-8-9/h4-8,13H,3H2,1-2H3
InChIKeyDUZPDMRCMZBEPJ-UHFFFAOYSA-N
XLogP1.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
CID 68744175
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
diethyl 2-methylsulfanyl-2-phenylpropanedioate
CID 10517021
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
CID 54148277
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
CID 106509563
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-methoxy-2-phenylacetate?
The IUPAC name of ethyl 2-hydroxy-2-methoxy-2-phenylacetate (CID 163409597) is ethyl 2-hydroxy-2-methoxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-hydroxy-2-methoxy-2-phenylacetate?
The canonical SMILES for ethyl 2-hydroxy-2-methoxy-2-phenylacetate is CCOC(=O)C(O)(OC)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-2-methoxy-2-phenylacetate?
The InChIKey is DUZPDMRCMZBEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-10(12)11(13,14-2)9-7-5-4-6-8-9/h4-8,13H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-methoxy-2-phenylacetate?
ethyl 2-hydroxy-2-methoxy-2-phenylacetate has a molecular weight of 210.23 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-methoxy-2-phenylacetate is sourced from PubChem (CID 163409597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).