[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate

C20H16O5 — CID 2689437

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C20H16O5/c1-2-13-7-9-14(10-8-13)17(22)12-24-20(23)19-11-16(21)15-5-3-4-6-18(15)25-19/h3-11H,2,12H2,1H3
InChIKeyOGYGZNVGRBMUIE-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.40
Rot. Bonds5

About [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 2689437) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID2689437
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCc1ccc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C20H16O5/c1-2-13-7-9-14(10-8-13)17(22)12-24-20(23)19-11-16(21)15-5-3-4-6-18(15)25-19/h3-11H,2,12H2,1H3
InChIKeyOGYGZNVGRBMUIE-UHFFFAOYSA-N
XLogP3.40
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 2689437) is [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate is CCc1ccc(C(=O)COC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is OGYGZNVGRBMUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c1-2-13-7-9-14(10-8-13)17(22)12-24-20(23)19-11-16(21)15-5-3-4-6-18(15)25-19/h3-11H,2,12H2,1H3.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 336.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 2689437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).