ethyl 4-oxochromene-8-carboxylate

C12H10O4 — CID 19972367

IUPACethyl 4-oxochromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)ccoc12
InChIInChI=1S/C12H10O4/c1-2-15-12(14)9-5-3-4-8-10(13)6-7-16-11(8)9/h3-7H,2H2,1H3
InChIKeyCBJKVHPSDMKKGL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.97
Rot. Bonds2

About ethyl 4-oxochromene-8-carboxylate

ethyl 4-oxochromene-8-carboxylate (PubChem CID 19972367) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 4-oxochromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxochromene-8-carboxylate
PubChem CID19972367
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Nameethyl 4-oxochromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)ccoc12
InChIInChI=1S/C12H10O4/c1-2-15-12(14)9-5-3-4-8-10(13)6-7-16-11(8)9/h3-7H,2H2,1H3
InChIKeyCBJKVHPSDMKKGL-UHFFFAOYSA-N
XLogP1.97
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl benzo[e][1]benzofuran-4-carboxylate
CID 139258571
ethyl dibenzofuran-1-carboxylate
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ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 905569
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
ethyl chrysene-1-carboxylate
CID 86251232
ethyl 7-cyano-1-benzofuran-3-carboxylate
CID 169234926
ethyl 2-(1-benzofuran-7-yl)-2-oxoacetate
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(2-ethoxycarbonyl-6-propanoylphenyl) furan-2-carboxylate
CID 19972749
ethyl 10-chloro-9-oxothioxanthen-10-ium-1-carboxylate
CID 172862252
ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288110
ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxochromene-8-carboxylate?
The IUPAC name of ethyl 4-oxochromene-8-carboxylate (CID 19972367) is ethyl 4-oxochromene-8-carboxylate.
What is the SMILES notation for ethyl 4-oxochromene-8-carboxylate?
The canonical SMILES for ethyl 4-oxochromene-8-carboxylate is CCOC(=O)c1cccc2c(=O)ccoc12.
What is the InChIKey of ethyl 4-oxochromene-8-carboxylate?
The InChIKey is CBJKVHPSDMKKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-2-15-12(14)9-5-3-4-8-10(13)6-7-16-11(8)9/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-oxochromene-8-carboxylate?
ethyl 4-oxochromene-8-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxochromene-8-carboxylate is sourced from PubChem (CID 19972367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).