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

C24H16O7 — CID 91637265

IUPAC5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1
InChIInChI=1S/C24H16O7/c25-14-6-4-12(5-7-14)19-10-17(27)23-18(28)11-20-22(24(23)31-19)16(9-21(29)30-20)13-2-1-3-15(26)8-13/h1-8,10-11,16,25-26,28H,9H2
InChIKeyHJSSYVBAEAMBRQ-UHFFFAOYSA-N
MW416.39 g/mol
LogP4.02
Rot. Bonds2

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

5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 91637265) has the molecular formula C24H16O7 and a molecular weight of 416.39 g/mol. Its IUPAC name is 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID91637265
Molecular FormulaC24H16O7
Molecular Weight416.39 g/mol
Exact Mass416.09
IUPAC Name5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESO=C1CC(c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1
InChIInChI=1S/C24H16O7/c25-14-6-4-12(5-7-14)19-10-17(27)23-18(28)11-20-22(24(23)31-19)16(9-21(29)30-20)13-2-1-3-15(26)8-13/h1-8,10-11,16,25-26,28H,9H2
InChIKeyHJSSYVBAEAMBRQ-UHFFFAOYSA-N
XLogP4.02
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(10R)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424900
(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424899
10-(1,3-benzodioxol-5-yl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91638077
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272
methyl 4-[(10R)-5-hydroxy-2-(4-hydroxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]benzoate
CID 99989995
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99995119
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971
5-hydroxy-2-(4-hydroxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637789
5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637527
(10S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424630
(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99986406
4-[(10S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]benzoic acid
CID 97425507

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 91637265) is 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is O=C1CC(c2cccc(O)c2)c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)O1.
What is the InChIKey of 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is HJSSYVBAEAMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O7/c25-14-6-4-12(5-7-14)19-10-17(27)23-18(28)11-20-22(24(23)31-19)16(9-21(29)30-20)13-2-1-3-15(26)8-13/h1-8,10-11,16,25-26,28H,9H2.
What are the key properties of 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 416.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 91637265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).