5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H22O7 — CID 91637527

About 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 91637527) has the molecular formula C27H22O7 and a molecular weight of 458.47 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 91637527
• Molecular Formula: C27H22O7
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.14
• IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: CC(C)Oc1ccccc1C1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21
• InChI: InChI=1S/C27H22O7/c1-14(2)32-21-6-4-3-5-17(21)18-11-24(31)33-23-13-20(30)26-19(29)12-22(34-27(26)25(18)23)15-7-9-16(28)10-8-15/h3-10,12-14,18,28,30H,11H2,1-2H3
• InChIKey: MSDRTRNIKFWFIC-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
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-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 91637527) is 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is CC(C)Oc1ccccc1C1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c21.

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

The InChIKey is MSDRTRNIKFWFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O7/c1-14(2)32-21-6-4-3-5-17(21)18-11-24(31)33-23-13-20(30)26-19(29)12-22(34-27(26)25(18)23)15-7-9-16(28)10-8-15/h3-10,12-14,18,28,30H,11H2,1-2H3.

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

5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 458.47 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 91637527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).