ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate

C21H20O5 — CID 13288110

IUPACethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3OCC)oc12
InChIInChI=1S/C21H20O5/c1-4-24-17-12-7-6-9-14(17)19-13(3)18(22)15-10-8-11-16(20(15)26-19)21(23)25-5-2/h6-12H,4-5H2,1-3H3
InChIKeyUFZASIWKMVUFGO-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.34
Rot. Bonds5

About ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate

ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate (PubChem CID 13288110) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
PubChem CID13288110
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Nameethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
SMILESCCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3OCC)oc12
InChIInChI=1S/C21H20O5/c1-4-24-17-12-7-6-9-14(17)19-13(3)18(22)15-10-8-11-16(20(15)26-19)21(23)25-5-2/h6-12H,4-5H2,1-3H3
InChIKeyUFZASIWKMVUFGO-UHFFFAOYSA-N
XLogP4.34
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate
CID 13288104
2-methoxyethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 46642244
2-(2,3-dimethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid
CID 13288116
2-methylprop-2-enyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18098557
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505428
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505437
ethyl 5-(2-methyl-1,3-oxazol-5-yl)naphthalene-1-carboxylate
CID 54115065
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
ethyl 9-oxoxanthene-1-carboxylate
CID 174406406
3-piperidin-1-ylpropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 13324430
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 7582554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
The IUPAC name of ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate (CID 13288110) is ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate.
What is the SMILES notation for ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
The canonical SMILES for ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate is CCOC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3OCC)oc12.
What is the InChIKey of ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
The InChIKey is UFZASIWKMVUFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-4-24-17-12-7-6-9-14(17)19-13(3)18(22)15-10-8-11-16(20(15)26-19)21(23)25-5-2/h6-12H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate?
ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyphenyl)-3-methyl-4-oxochromene-8-carboxylate is sourced from PubChem (CID 13288110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).