ethyl benzo[e][1]benzofuran-2-carboxylate

C15H12O3 — CID 738036

IUPACethyl benzo[e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C15H12O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-9H,2H2,1H3
InChIKeyWCLJZIQDNPSVDJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.76
Rot. Bonds2

About ethyl benzo[e][1]benzofuran-2-carboxylate

ethyl benzo[e][1]benzofuran-2-carboxylate (PubChem CID 738036) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl benzo[e][1]benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl benzo[e][1]benzofuran-2-carboxylate
PubChem CID738036
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Nameethyl benzo[e][1]benzofuran-2-carboxylate
SMILESCCOC(=O)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C15H12O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-9H,2H2,1H3
InChIKeyWCLJZIQDNPSVDJ-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

N,N-dimethylbenzo[e][1]benzofuran-2-carboxamide
CID 2990859
ethyl 3-oxobenzo[f]chromene-1-carboxylate
CID 11161494
ethyl 9-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170240
N-butan-2-ylbenzo[e][1]benzofuran-2-carboxamide
CID 2986419
ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
CID 23049270
ethyl 3-methyl-5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-2-carboxylate
CID 7126145
ethyl [1]benzofuro[5,6-b][1]benzofuran-2-carboxylate;ethyl 10-formyl-[1]benzofuro[5,6-b][1]benzofuran-2-carboxylate
CID 157408714
N-[(2R)-3-methylbutan-2-yl]benzo[e][1]benzofuran-2-carboxamide
CID 100565674
1-benzo[e][1]benzofuran-2-yl-3-(dimethylamino)prop-2-en-1-one
CID 1481654
(E)-1-benzo[e][1]benzofuran-2-yl-3-(4-methylphenyl)prop-2-en-1-one
CID 139233689
ethyl acetate;phenanthrene
CID 160726264
ethyl 4-benzo[e][1]benzofuran-2-ylpiperidine-1-carboxylate
CID 54207843

Frequently Asked Questions

What is the IUPAC name of ethyl benzo[e][1]benzofuran-2-carboxylate?
The IUPAC name of ethyl benzo[e][1]benzofuran-2-carboxylate (CID 738036) is ethyl benzo[e][1]benzofuran-2-carboxylate.
What is the SMILES notation for ethyl benzo[e][1]benzofuran-2-carboxylate?
The canonical SMILES for ethyl benzo[e][1]benzofuran-2-carboxylate is CCOC(=O)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of ethyl benzo[e][1]benzofuran-2-carboxylate?
The InChIKey is WCLJZIQDNPSVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-2-17-15(16)14-9-12-11-6-4-3-5-10(11)7-8-13(12)18-14/h3-9H,2H2,1H3.
What are the key properties of ethyl benzo[e][1]benzofuran-2-carboxylate?
ethyl benzo[e][1]benzofuran-2-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-2-carboxylate is sourced from PubChem (CID 738036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).