[2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate

C23H16O11 — CID 160716765

IUPAC[2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate
SMILESO=C(OOCC(O)COOC(=O)c1cc(=O)c2ccccc2o1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H16O11/c24-13(11-29-33-22(27)20-9-16(25)14-5-1-3-7-18(14)31-20)12-30-34-23(28)21-10-17(26)15-6-2-4-8-19(15)32-21/h1-10,13,24H,11-12H2
InChIKeyRSOMJGLYDYJLAV-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.14
Rot. Bonds8

About [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate

[2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate (PubChem CID 160716765) has the molecular formula C23H16O11 and a molecular weight of 468.37 g/mol. Its IUPAC name is [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate.

Molecular Properties

Compound Name[2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate
PubChem CID160716765
Molecular FormulaC23H16O11
Molecular Weight468.37 g/mol
Exact Mass468.07
IUPAC Name[2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate
SMILESO=C(OOCC(O)COOC(=O)c1cc(=O)c2ccccc2o1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H16O11/c24-13(11-29-33-22(27)20-9-16(25)14-5-1-3-7-18(14)31-20)12-30-34-23(28)21-10-17(26)15-6-2-4-8-19(15)32-21/h1-10,13,24H,11-12H2
InChIKeyRSOMJGLYDYJLAV-UHFFFAOYSA-N
XLogP2.14
TPSA151.71 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate?
The IUPAC name of [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate (CID 160716765) is [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate.
What is the SMILES notation for [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate?
The canonical SMILES for [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate is O=C(OOCC(O)COOC(=O)c1cc(=O)c2ccccc2o1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate?
The InChIKey is RSOMJGLYDYJLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O11/c24-13(11-29-33-22(27)20-9-16(25)14-5-1-3-7-18(14)31-20)12-30-34-23(28)21-10-17(26)15-6-2-4-8-19(15)32-21/h1-10,13,24H,11-12H2.
What are the key properties of [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate?
[2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate has a molecular weight of 468.37 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(4-oxochromene-2-carbonyl)peroxypropyl] 4-oxochromene-2-carboperoxoate is sourced from PubChem (CID 160716765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).