2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate

C16H14O4 — CID 175808262

IUPAC2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1coc2c1ccc1ccccc12
InChIInChI=1S/C16H14O4/c1-18-8-9-19-16(17)14-10-20-15-12-5-3-2-4-11(12)6-7-13(14)15/h2-7,10H,8-9H2,1H3
InChIKeyMCCWJBYRZOWSAI-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.39
Rot. Bonds4

About 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate

2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate (PubChem CID 175808262) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate
PubChem CID175808262
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate
SMILESCOCCOC(=O)c1coc2c1ccc1ccccc12
InChIInChI=1S/C16H14O4/c1-18-8-9-19-16(17)14-10-20-15-12-5-3-2-4-11(12)6-7-13(14)15/h2-7,10H,8-9H2,1H3
InChIKeyMCCWJBYRZOWSAI-UHFFFAOYSA-N
XLogP3.39
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate?
The IUPAC name of 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate (CID 175808262) is 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate?
The canonical SMILES for 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate is COCCOC(=O)c1coc2c1ccc1ccccc12.
What is the InChIKey of 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate?
The InChIKey is MCCWJBYRZOWSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-18-8-9-19-16(17)14-10-20-15-12-5-3-2-4-11(12)6-7-13(14)15/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate?
2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl benzo[g][1]benzofuran-3-carboxylate is sourced from PubChem (CID 175808262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).