(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C28H22O10 — CID 19168767

About (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 19168767) has the molecular formula C28H22O10 and a molecular weight of 518.47 g/mol. Its IUPAC name is (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

• Compound Name: (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
• PubChem CID: 19168767
• Molecular Formula: C28H22O10
• Molecular Weight: 518.47 g/mol
• Exact Mass: 518.12
• IUPAC Name: (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
• SMILES: COc1cc2c(=O)oc3cc(OC(=O)COc4ccc5c(C)cc(=O)oc5c4)ccc3c2c(OC)c1OC
• InChI: InChI=1S/C28H22O10/c1-14-9-23(29)37-20-10-15(5-7-17(14)20)35-13-24(30)36-16-6-8-18-21(11-16)38-28(31)19-12-22(32-2)26(33-3)27(34-4)25(18)19/h5-12H,13H2,1-4H3
• InChIKey: YGIIWYNJWVTEKX-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 123.64 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.47
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

The IUPAC name of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 19168767) is (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

What is the SMILES notation for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

The canonical SMILES for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is COc1cc2c(=O)oc3cc(OC(=O)COc4ccc5c(C)cc(=O)oc5c4)ccc3c2c(OC)c1OC.

What is the InChIKey of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

The InChIKey is YGIIWYNJWVTEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O10/c1-14-9-23(29)37-20-10-15(5-7-17(14)20)35-13-24(30)36-16-6-8-18-21(11-16)38-28(31)19-12-22(32-2)26(33-3)27(34-4)25(18)19/h5-12H,13H2,1-4H3.

What are the key properties of (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

(8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 518.47 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (8,9,10-trimethoxy-6-oxobenzo[c]chromen-3-yl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 19168767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).