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

C24H16O6 — CID 71826516

IUPAC5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2ccccc2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C24H16O6/c25-15-8-6-14(7-9-15)17-12-29-24-21-16(13-4-2-1-3-5-13)10-20(27)30-19(21)11-18(26)22(24)23(17)28/h1-9,11-12,16,25-26H,10H2
InChIKeyYYNBYINOVSUQTL-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.31
Rot. Bonds2

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

5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71826516) has the molecular formula C24H16O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71826516
Molecular FormulaC24H16O6
Molecular Weight400.39 g/mol
Exact Mass400.09
IUPAC Name5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2ccccc2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1
InChIInChI=1S/C24H16O6/c25-15-8-6-14(7-9-15)17-12-29-24-21-16(13-4-2-1-3-5-13)10-20(27)30-19(21)11-18(26)22(24)23(17)28/h1-9,11-12,16,25-26H,10H2
InChIKeyYYNBYINOVSUQTL-UHFFFAOYSA-N
XLogP4.31
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(10S)-5-hydroxy-3-phenyl-10-pyridin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125428773
(10R)-10-(1,3-benzodioxol-5-yl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425623
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424618
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424518
10-(2,4-difluorophenyl)-5-hydroxy-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71825843
5-hydroxy-3-(4-hydroxyphenyl)-10-(1-propan-2-ylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827096
(10S)-5-hydroxy-3-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424476
(10R)-5-hydroxy-10-(1-methylpyrazol-4-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125429817
5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71753973
5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71825881
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
methyl 2-[2-[(10S)-5-hydroxy-3-(4-hydroxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate
CID 97424210

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71826516) is 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1CC(c2ccccc2)c2c(cc(O)c3c(=O)c(-c4ccc(O)cc4)coc23)O1.
What is the InChIKey of 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is YYNBYINOVSUQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O6/c25-15-8-6-14(7-9-15)17-12-29-24-21-16(13-4-2-1-3-5-13)10-20(27)30-19(21)11-18(26)22(24)23(17)28/h1-9,11-12,16,25-26H,10H2.
What are the key properties of 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 400.39 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71826516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).