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

C22H20O7 — CID 99990209

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

(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 99990209) has the molecular formula C22H20O7 and a molecular weight of 396.40 g/mol. Its IUPAC name is (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 99990209
• Molecular Formula: C22H20O7
• Molecular Weight: 396.40 g/mol
• Exact Mass: 396.12
• IUPAC Name: (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](C(C)C)CC(=O)O4)cc1O
• InChI: InChI=1S/C22H20O7/c1-10(2)12-7-19(26)28-18-9-15(25)21-14(24)8-17(29-22(21)20(12)18)11-4-5-16(27-3)13(23)6-11/h4-6,8-10,12,23,25H,7H2,1-3H3/t12-/m1/s1
• InChIKey: GLMPQPKWMLPIHY-GFCCVEGCSA-N
• XLogP: 3.93
• TPSA: 106.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.40
LogP ≤ 5	3.93
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 (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 99990209) is (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-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-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

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

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

The InChIKey is GLMPQPKWMLPIHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20O7/c1-10(2)12-7-19(26)28-18-9-15(25)21-14(24)8-17(29-22(21)20(12)18)11-4-5-16(27-3)13(23)6-11/h4-6,8-10,12,23,25H,7H2,1-3H3/t12-/m1/s1.

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

(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 396.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 99990209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).