5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H22O6S — CID 71826901

About 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71826901) has the molecular formula C27H22O6S and a molecular weight of 474.53 g/mol. Its IUPAC name is 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 71826901
• Molecular Formula: C27H22O6S
• Molecular Weight: 474.53 g/mol
• Exact Mass: 474.11
• IUPAC Name: 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)CC4c2ccc(SC)cc2)cc1
• InChI: InChI=1S/C27H22O6S/c1-30-17-8-4-16(5-9-17)20-14-32-27-24-19(15-6-10-18(34-3)11-7-15)12-23(28)33-22(24)13-21(31-2)25(27)26(20)29/h4-11,13-14,19H,12H2,1-3H3
• InChIKey: ORGDMCQNBFUXSI-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 74.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.53
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71826901) is 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

What is the SMILES notation for 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The canonical SMILES for 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(OC)c3c2=O)OC(=O)CC4c2ccc(SC)cc2)cc1.

What is the InChIKey of 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The InChIKey is ORGDMCQNBFUXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O6S/c1-30-17-8-4-16(5-9-17)20-14-32-27-24-19(15-6-10-18(34-3)11-7-15)12-23(28)33-22(24)13-21(31-2)25(27)26(20)29/h4-11,13-14,19H,12H2,1-3H3.

What are the key properties of 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 474.53 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-3-(4-methoxyphenyl)-10-(4-methylsulfanylphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71826901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).