5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C24H20N2O6 — CID 71827096

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCC(C)n1cc(C2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1
InChIInChI=1S/C24H20N2O6/c1-12(2)26-10-14(9-25-26)16-7-20(29)32-19-8-18(28)22-23(30)17(11-31-24(22)21(16)19)13-3-5-15(27)6-4-13/h3-6,8-12,16,27-28H,7H2,1-2H3
InChIKeySCHOYQFWXHFROD-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.09
Rot. Bonds3

About 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71827096) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71827096
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCC(C)n1cc(C2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1
InChIInChI=1S/C24H20N2O6/c1-12(2)26-10-14(9-25-26)16-7-20(29)32-19-8-18(28)22-23(30)17(11-31-24(22)21(16)19)13-3-5-15(27)6-4-13/h3-6,8-12,16,27-28H,7H2,1-2H3
InChIKeySCHOYQFWXHFROD-UHFFFAOYSA-N
XLogP4.09
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71827096) is 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is CC(C)n1cc(C2CC(=O)Oc3cc(O)c4c(=O)c(-c5ccc(O)cc5)coc4c32)cn1.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is SCHOYQFWXHFROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-12(2)26-10-14(9-25-26)16-7-20(29)32-19-8-18(28)22-23(30)17(11-31-24(22)21(16)19)13-3-5-15(27)6-4-13/h3-6,8-12,16,27-28H,7H2,1-2H3.
What are the key properties of 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 432.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71827096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).