(2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate

C14H10O6 — CID 3566974

IUPAC(2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate
SMILESO=C(OC1CCOC1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H10O6/c15-9-7-12(19-10-4-2-1-3-8(9)10)14(17)20-11-5-6-18-13(11)16/h1-4,7,11H,5-6H2
InChIKeyQJCYVCUDHZWYMR-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.27
Rot. Bonds2

About (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate

(2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate (PubChem CID 3566974) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate
PubChem CID3566974
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name(2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate
SMILESO=C(OC1CCOC1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H10O6/c15-9-7-12(19-10-4-2-1-3-8(9)10)14(17)20-11-5-6-18-13(11)16/h1-4,7,11H,5-6H2
InChIKeyQJCYVCUDHZWYMR-UHFFFAOYSA-N
XLogP1.27
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate?
The IUPAC name of (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate (CID 3566974) is (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate is O=C(OC1CCOC1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate?
The InChIKey is QJCYVCUDHZWYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-9-7-12(19-10-4-2-1-3-8(9)10)14(17)20-11-5-6-18-13(11)16/h1-4,7,11H,5-6H2.
What are the key properties of (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate?
(2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate has a molecular weight of 274.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-oxochromene-2-carboxylate is sourced from PubChem (CID 3566974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).