(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C23H16O7S — CID 99987156

About (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 99987156) has the molecular formula C23H16O7S and a molecular weight of 436.44 g/mol. Its IUPAC name is (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 99987156
• Molecular Formula: C23H16O7S
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.06
• IUPAC Name: (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccsc2)CC(=O)O4)cc1O
• InChI: InChI=1S/C23H16O7S/c1-28-17-3-2-11(6-14(17)24)18-8-15(25)22-16(26)9-19-21(23(22)30-18)13(7-20(27)29-19)12-4-5-31-10-12/h2-6,8-10,13,24,26H,7H2,1H3/t13-/m0/s1
• InChIKey: HHLNLDQUCMUJNT-ZDUSSCGKSA-N
• XLogP: 4.38
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 99987156) is (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccsc2)CC(=O)O4)cc1O.

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

The InChIKey is HHLNLDQUCMUJNT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H16O7S/c1-28-17-3-2-11(6-14(17)24)18-8-15(25)22-16(26)9-19-21(23(22)30-18)13(7-20(27)29-19)12-4-5-31-10-12/h2-6,8-10,13,24,26H,7H2,1H3/t13-/m0/s1.

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

(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 436.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 99987156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).