ethyl benzo[e][1]benzofuran-4-carboxylate

C15H12O3 — CID 139258571

IUPACethyl benzo[e][1]benzofuran-4-carboxylate
SMILESCCOC(=O)c1cc2ccccc2c2ccoc12
InChIInChI=1S/C15H12O3/c1-2-17-15(16)13-9-10-5-3-4-6-11(10)12-7-8-18-14(12)13/h3-9H,2H2,1H3
InChIKeyJWGPTVHWFAZMPC-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.76
Rot. Bonds2

About ethyl benzo[e][1]benzofuran-4-carboxylate

ethyl benzo[e][1]benzofuran-4-carboxylate (PubChem CID 139258571) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl benzo[e][1]benzofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl benzo[e][1]benzofuran-4-carboxylate
PubChem CID139258571
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Nameethyl benzo[e][1]benzofuran-4-carboxylate
SMILESCCOC(=O)c1cc2ccccc2c2ccoc12
InChIInChI=1S/C15H12O3/c1-2-17-15(16)13-9-10-5-3-4-6-11(10)12-7-8-18-14(12)13/h3-9H,2H2,1H3
InChIKeyJWGPTVHWFAZMPC-UHFFFAOYSA-N
XLogP3.76
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-oxochromene-8-carboxylate
CID 19972367
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 3-hydrazinylnaphthalene-1-carboxylate
CID 67271150
ethyl acetate;phenanthrene
CID 160726264
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
ethyl 8-methylfuro[2,3-h]quinoline-6-carboxylate
CID 51350321
ethyl 6-formyl-2-oxobenzo[h]chromene-3-carboxylate
CID 44604326
ethyl 2-(1-benzofuran-7-yl)-2-oxoacetate
CID 117310588
ethyl benzo[e][1]benzofuran-2-carboxylate
CID 738036
3-ethoxycarbonylnaphthalene-2-diazonium
CID 3698524
ethyl 3-oxobenzo[f]chromene-1-carboxylate
CID 11161494
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612

Frequently Asked Questions

What is the IUPAC name of ethyl benzo[e][1]benzofuran-4-carboxylate?
The IUPAC name of ethyl benzo[e][1]benzofuran-4-carboxylate (CID 139258571) is ethyl benzo[e][1]benzofuran-4-carboxylate.
What is the SMILES notation for ethyl benzo[e][1]benzofuran-4-carboxylate?
The canonical SMILES for ethyl benzo[e][1]benzofuran-4-carboxylate is CCOC(=O)c1cc2ccccc2c2ccoc12.
What is the InChIKey of ethyl benzo[e][1]benzofuran-4-carboxylate?
The InChIKey is JWGPTVHWFAZMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-2-17-15(16)13-9-10-5-3-4-6-11(10)12-7-8-18-14(12)13/h3-9H,2H2,1H3.
What are the key properties of ethyl benzo[e][1]benzofuran-4-carboxylate?
ethyl benzo[e][1]benzofuran-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl benzo[e][1]benzofuran-4-carboxylate is sourced from PubChem (CID 139258571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).