(10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H22O9 — CID 125430199

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

(10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 125430199) has the molecular formula C27H22O9 and a molecular weight of 490.46 g/mol. Its IUPAC name is (10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 125430199
• Molecular Formula: C27H22O9
• Molecular Weight: 490.46 g/mol
• Exact Mass: 490.13
• IUPAC Name: (10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3c1cc(OC)c(O)c(OC)c1
• InChI: InChI=1S/C27H22O9/c1-32-18-7-5-4-6-14(18)16-12-35-27-23-15(13-8-20(33-2)26(31)21(9-13)34-3)10-22(29)36-19(23)11-17(28)24(27)25(16)30/h4-9,11-12,15,28,31H,10H2,1-3H3/t15-/m0/s1
• InChIKey: CUTGNUWGDVDZBO-HNNXBMFYSA-N
• XLogP: 4.34
• TPSA: 124.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.46
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 125430199) is (10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for (10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccccc1-c1coc2c3c(cc(O)c2c1=O)OC(=O)C[C@H]3c1cc(OC)c(O)c(OC)c1.

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

The InChIKey is CUTGNUWGDVDZBO-HNNXBMFYSA-N. The full InChI is InChI=1S/C27H22O9/c1-32-18-7-5-4-6-14(18)16-12-35-27-23-15(13-8-20(33-2)26(31)21(9-13)34-3)10-22(29)36-19(23)11-17(28)24(27)25(16)30/h4-9,11-12,15,28,31H,10H2,1-3H3/t15-/m0/s1.

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

(10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 490.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-5-hydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 125430199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).