ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate

C12H14O4 — CID 117317830

IUPACethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C12H14O4/c1-2-16-12(14)11(13)8-3-4-9-6-15-7-10(9)5-8/h3-5,11,13H,2,6-7H2,1H3
InChIKeyQVPLMKQCPKJOCA-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.31
Rot. Bonds3

About ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate

ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate (PubChem CID 117317830) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
PubChem CID117317830
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Nameethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C12H14O4/c1-2-16-12(14)11(13)8-3-4-9-6-15-7-10(9)5-8/h3-5,11,13H,2,6-7H2,1H3
InChIKeyQVPLMKQCPKJOCA-UHFFFAOYSA-N
XLogP1.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate 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-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate (CID 117317830) is ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc2c(c1)COC2.
What is the InChIKey of ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate?
The InChIKey is QVPLMKQCPKJOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-2-16-12(14)11(13)8-3-4-9-6-15-7-10(9)5-8/h3-5,11,13H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate?
ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate has a molecular weight of 222.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dihydro-2-benzofuran-5-yl)-2-hydroxyacetate is sourced from PubChem (CID 117317830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).