2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C26H20O10 — CID 75491086

About 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 75491086) has the molecular formula C26H20O10 and a molecular weight of 492.44 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

• Compound Name: 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• PubChem CID: 75491086
• Molecular Formula: C26H20O10
• Molecular Weight: 492.44 g/mol
• Exact Mass: 492.11
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
• SMILES: CCOc1cc(C2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1O
• InChI: InChI=1S/C26H20O10/c1-2-34-18-8-11(3-6-15(18)28)13-9-20(31)35-19-10-17(30)22-23(32)24(33)25(36-26(22)21(13)19)12-4-5-14(27)16(29)7-12/h3-8,10,13,27-30,33H,2,9H2,1H3
• InChIKey: LIZHILMORZLAAM-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 166.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.44
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?

The IUPAC name of 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 75491086) is 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

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

The canonical SMILES for 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is CCOc1cc(C2CC(=O)Oc3cc(O)c4c(=O)c(O)c(-c5ccc(O)c(O)c5)oc4c32)ccc1O.

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

The InChIKey is LIZHILMORZLAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O10/c1-2-34-18-8-11(3-6-15(18)28)13-9-20(31)35-19-10-17(30)22-23(32)24(33)25(36-26(22)21(13)19)12-4-5-14(27)16(29)7-12/h3-8,10,13,27-30,33H,2,9H2,1H3.

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

2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 492.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydroxyphenyl)-10-(3-ethoxy-4-hydroxyphenyl)-3,5-dihydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 75491086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).