5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C25H18O8 — CID 71827308

IUPAC5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1cc(C2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)ccc1O
InChIInChI=1S/C25H18O8/c1-31-18-9-13(7-8-15(18)26)14-10-19(28)33-25-20(14)24-21(22(29)23(25)30)16(27)11-17(32-24)12-5-3-2-4-6-12/h2-9,11,14,26,29-30H,10H2,1H3
InChIKeySOWHRAGUTSEBIG-UHFFFAOYSA-N
MW446.41 g/mol
LogP4.03
Rot. Bonds3

About 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71827308) has the molecular formula C25H18O8 and a molecular weight of 446.41 g/mol. Its IUPAC name is 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71827308
Molecular FormulaC25H18O8
Molecular Weight446.41 g/mol
Exact Mass446.10
IUPAC Name5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1cc(C2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)ccc1O
InChIInChI=1S/C25H18O8/c1-31-18-9-13(7-8-15(18)26)14-10-19(28)33-25-20(14)24-21(22(29)23(25)30)16(27)11-17(32-24)12-5-3-2-4-6-12/h2-9,11,14,26,29-30H,10H2,1H3
InChIKeySOWHRAGUTSEBIG-UHFFFAOYSA-N
XLogP4.03
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

5,6-dihydroxy-10-(4-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827157
(10S)-5,6-dihydroxy-2-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423998
5,6-dihydroxy-10-[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71826725
(10R)-10-(1,3-benzodioxol-5-yl)-5,6-dihydroxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425128
methyl 2-[2-[(10R)-5,6-dihydroxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate
CID 97425235
(10R)-5,6-dihydroxy-10-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 98885051
(10S)-5,6-dihydroxy-2-phenyl-10-(2,3,4-trifluorophenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97426239
(10S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424630
(10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423808
(10S)-5,6-dihydroxy-10-(4-oxochromen-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423817
methyl 4-(5-methoxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl)benzoate
CID 71827106
(10S)-5-hydroxy-2-phenyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423912

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71827308) is 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1cc(C2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)ccc1O.
What is the InChIKey of 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is SOWHRAGUTSEBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O8/c1-31-18-9-13(7-8-15(18)26)14-10-19(28)33-25-20(14)24-21(22(29)23(25)30)16(27)11-17(32-24)12-5-3-2-4-6-12/h2-9,11,14,26,29-30H,10H2,1H3.
What are the key properties of 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 446.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71827308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).