2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate

C14H20O5 — CID 3050353

IUPAC2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate
SMILESCCOCCOCCOC(=O)C(O)c1ccccc1
InChIInChI=1S/C14H20O5/c1-2-17-8-9-18-10-11-19-14(16)13(15)12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyCJYLPNJTRIHDKM-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.32
Rot. Bonds9

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

2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate (PubChem CID 3050353) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate
PubChem CID3050353
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate
SMILESCCOCCOCCOC(=O)C(O)c1ccccc1
InChIInChI=1S/C14H20O5/c1-2-17-8-9-18-10-11-19-14(16)13(15)12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3
InChIKeyCJYLPNJTRIHDKM-UHFFFAOYSA-N
XLogP1.32
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-ethoxyethoxy)ethyl 2-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate (CID 3050353) is 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate is CCOCCOCCOC(=O)C(O)c1ccccc1.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate?
The InChIKey is CJYLPNJTRIHDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-2-17-8-9-18-10-11-19-14(16)13(15)12-6-4-3-5-7-12/h3-7,13,15H,2,8-11H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate?
2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate has a molecular weight of 268.31 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 3050353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).