ethyl 2-methoxy-2-phenylacetate

C11H14O3 — CID 11819944

IUPACethyl 2-methoxy-2-phenylacetate
SMILESCCOC(=O)C(OC)c1ccccc1
InChIInChI=1S/C11H14O3/c1-3-14-11(12)10(13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKeyQZSNWMGZBAOABA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.94
Rot. Bonds4

About ethyl 2-methoxy-2-phenylacetate

ethyl 2-methoxy-2-phenylacetate (PubChem CID 11819944) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-methoxy-2-phenylacetate
PubChem CID11819944
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameethyl 2-methoxy-2-phenylacetate
SMILESCCOC(=O)C(OC)c1ccccc1
InChIInChI=1S/C11H14O3/c1-3-14-11(12)10(13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKeyQZSNWMGZBAOABA-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methoxy-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 ethyl 2-methoxy-2-phenylacetate?
The IUPAC name of ethyl 2-methoxy-2-phenylacetate (CID 11819944) is ethyl 2-methoxy-2-phenylacetate.
What is the SMILES notation for ethyl 2-methoxy-2-phenylacetate?
The canonical SMILES for ethyl 2-methoxy-2-phenylacetate is CCOC(=O)C(OC)c1ccccc1.
What is the InChIKey of ethyl 2-methoxy-2-phenylacetate?
The InChIKey is QZSNWMGZBAOABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-14-11(12)10(13-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-2-phenylacetate?
ethyl 2-methoxy-2-phenylacetate has a molecular weight of 194.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-2-phenylacetate is sourced from PubChem (CID 11819944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).