ethyl 7-ethyl-4-oxochromene-2-carboxylate

C14H14O4 — CID 22924455

IUPACethyl 7-ethyl-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2ccc(CC)cc2o1
InChIInChI=1S/C14H14O4/c1-3-9-5-6-10-11(15)8-13(14(16)17-4-2)18-12(10)7-9/h5-8H,3-4H2,1-2H3
InChIKeyGBUBEBXUZWJLMU-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.53
Rot. Bonds3

About ethyl 7-ethyl-4-oxochromene-2-carboxylate

ethyl 7-ethyl-4-oxochromene-2-carboxylate (PubChem CID 22924455) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is ethyl 7-ethyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-4-oxochromene-2-carboxylate
PubChem CID22924455
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nameethyl 7-ethyl-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2ccc(CC)cc2o1
InChIInChI=1S/C14H14O4/c1-3-9-5-6-10-11(15)8-13(14(16)17-4-2)18-12(10)7-9/h5-8H,3-4H2,1-2H3
InChIKeyGBUBEBXUZWJLMU-UHFFFAOYSA-N
XLogP2.53
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 7-iodo-4-oxochromene-2-carboxylate
CID 119089265
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
CID 5377214
ethyl 8-bromo-7-hydroxy-4-oxochromene-2-carboxylate
CID 628562
ethyl 8-(hydroxymethyl)-[1]benzofuro[3,2-e][1]benzofuran-2-carboxylate
CID 15170239
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959
ethyl 6-bromo-7-formyl-4-oxochromene-2-carboxylate
CID 156537403
ethyl 7-amino-4-oxo-8-propylchromene-2-carboxylate
CID 2801547
ethyl 7-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate
CID 54479874
[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2689437
ethyl 7-hydroxy-6-nitro-4-oxochromene-2-carboxylate
CID 5378077

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-4-oxochromene-2-carboxylate?
The IUPAC name of ethyl 7-ethyl-4-oxochromene-2-carboxylate (CID 22924455) is ethyl 7-ethyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-4-oxochromene-2-carboxylate?
The canonical SMILES for ethyl 7-ethyl-4-oxochromene-2-carboxylate is CCOC(=O)c1cc(=O)c2ccc(CC)cc2o1.
What is the InChIKey of ethyl 7-ethyl-4-oxochromene-2-carboxylate?
The InChIKey is GBUBEBXUZWJLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-3-9-5-6-10-11(15)8-13(14(16)17-4-2)18-12(10)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 7-ethyl-4-oxochromene-2-carboxylate?
ethyl 7-ethyl-4-oxochromene-2-carboxylate has a molecular weight of 246.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 22924455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).