ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate

C12H16O5 — CID 68744175

IUPACethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
SMILESCCOC(=O)C(O)(OCCO)c1ccccc1
InChIInChI=1S/C12H16O5/c1-2-16-11(14)12(15,17-9-8-13)10-6-4-3-5-7-10/h3-7,13,15H,2,8-9H2,1H3
InChIKeyZZJNHAQTUBJSEJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.40
Rot. Bonds6

About ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate

ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate (PubChem CID 68744175) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
PubChem CID68744175
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
SMILESCCOC(=O)C(O)(OCCO)c1ccccc1
InChIInChI=1S/C12H16O5/c1-2-16-11(14)12(15,17-9-8-13)10-6-4-3-5-7-10/h3-7,13,15H,2,8-9H2,1H3
InChIKeyZZJNHAQTUBJSEJ-UHFFFAOYSA-N
XLogP0.40
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid
CID 151085982
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
diethyl 2-methylsulfanyl-2-phenylpropanedioate
CID 10517021
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
CID 106509563
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
ethyl 2-ethoxy-2-phenylbutanoate
CID 141059319
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
heptakis([diphenyl(propoxy)methyl]benzene);2-trityloxyethanol
CID 159570808

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate?
The IUPAC name of ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate (CID 68744175) is ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate is CCOC(=O)C(O)(OCCO)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate?
The InChIKey is ZZJNHAQTUBJSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-2-16-11(14)12(15,17-9-8-13)10-6-4-3-5-7-10/h3-7,13,15H,2,8-9H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate?
ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate has a molecular weight of 240.25 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate is sourced from PubChem (CID 68744175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).