4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

C26H20O6 — CID 110206581

IUPAC4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1cc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)ccc1O
InChIInChI=1S/C26H20O6/c1-14-10-21-25(17(12-22(28)31-21)15-6-4-3-5-7-15)26-24(14)18(13-23(29)32-26)16-8-9-19(27)20(11-16)30-2/h3-12,18,27H,13H2,1-2H3
InChIKeyJVOQXGBNVYPGTM-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.92
Rot. Bonds3

About 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 110206581) has the molecular formula C26H20O6 and a molecular weight of 428.44 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

Compound Name4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
PubChem CID110206581
Molecular FormulaC26H20O6
Molecular Weight428.44 g/mol
Exact Mass428.13
IUPAC Name4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1cc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)ccc1O
InChIInChI=1S/C26H20O6/c1-14-10-21-25(17(12-22(28)31-21)15-6-4-3-5-7-15)26-24(14)18(13-23(29)32-26)16-8-9-19(27)20(11-16)30-2/h3-12,18,27H,13H2,1-2H3
InChIKeyJVOQXGBNVYPGTM-UHFFFAOYSA-N
XLogP4.92
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The IUPAC name of 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (CID 110206581) is 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.
What is the SMILES notation for 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The canonical SMILES for 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is COc1cc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The InChIKey is JVOQXGBNVYPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O6/c1-14-10-21-25(17(12-22(28)31-21)15-6-4-3-5-7-15)26-24(14)18(13-23(29)32-26)16-8-9-19(27)20(11-16)30-2/h3-12,18,27H,13H2,1-2H3.
What are the key properties of 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 428.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 110206581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).