ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate

C19H18O4 — CID 162402313

IUPACethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate
SMILESCCOC(=O)c1coc2c1C(C)c1ccc3c(c1C2=O)CCC3
InChIInChI=1S/C19H18O4/c1-3-22-19(21)14-9-23-18-15(14)10(2)12-8-7-11-5-4-6-13(11)16(12)17(18)20/h7-10H,3-6H2,1-2H3
InChIKeyIXFHFADKCGZIII-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.64
Rot. Bonds2

About ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate

ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate (PubChem CID 162402313) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate
PubChem CID162402313
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Nameethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate
SMILESCCOC(=O)c1coc2c1C(C)c1ccc3c(c1C2=O)CCC3
InChIInChI=1S/C19H18O4/c1-3-22-19(21)14-9-23-18-15(14)10(2)12-8-7-11-5-4-6-13(11)16(12)17(18)20/h7-10H,3-6H2,1-2H3
InChIKeyIXFHFADKCGZIII-UHFFFAOYSA-N
XLogP3.64
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate?
The IUPAC name of ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate (CID 162402313) is ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate.
What is the SMILES notation for ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate?
The canonical SMILES for ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate is CCOC(=O)c1coc2c1C(C)c1ccc3c(c1C2=O)CCC3.
What is the InChIKey of ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate?
The InChIKey is IXFHFADKCGZIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-3-22-19(21)14-9-23-18-15(14)10(2)12-8-7-11-5-4-6-13(11)16(12)17(18)20/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate?
ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-10-oxo-1,2,3,6-tetrahydroindeno[5,4-f][1]benzofuran-7-carboxylate is sourced from PubChem (CID 162402313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).