10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C28H20O8 — CID 91636470

IUPAC10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(C2=Cc3ccccc3OC2)CC(=O)O4)cc1O
InChIInChI=1S/C28H20O8/c1-33-22-7-6-15(9-18(22)29)23-11-19(30)27-20(31)12-24-26(28(27)36-23)17(10-25(32)35-24)16-8-14-4-2-3-5-21(14)34-13-16/h2-9,11-12,17,29,31H,10,13H2,1H3
InChIKeyRIPOTKSOUVGDGS-UHFFFAOYSA-N
MW484.46 g/mol
LogP4.75
Rot. Bonds3

About 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 91636470) has the molecular formula C28H20O8 and a molecular weight of 484.46 g/mol. Its IUPAC name is 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID91636470
Molecular FormulaC28H20O8
Molecular Weight484.46 g/mol
Exact Mass484.12
IUPAC Name10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(C2=Cc3ccccc3OC2)CC(=O)O4)cc1O
InChIInChI=1S/C28H20O8/c1-33-22-7-6-15(9-18(22)29)23-11-19(30)27-20(31)12-24-26(28(27)36-23)17(10-25(32)35-24)16-8-14-4-2-3-5-21(14)34-13-16/h2-9,11-12,17,29,31H,10,13H2,1H3
InChIKeyRIPOTKSOUVGDGS-UHFFFAOYSA-N
XLogP4.75
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.46
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(10R)-10-(3,4-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99986406
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91636912
(10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985008
10-(1,3-benzodioxol-5-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637654
(10S)-10-(2H-chromen-3-yl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125123092
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637214
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99990209
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-thiophen-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99987156
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-4-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99996722
(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-(2H-chromen-3-yl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045927

Frequently Asked Questions

What is the IUPAC name of 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 91636470) is 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)C(C2=Cc3ccccc3OC2)CC(=O)O4)cc1O.
What is the InChIKey of 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is RIPOTKSOUVGDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O8/c1-33-22-7-6-15(9-18(22)29)23-11-19(30)27-20(31)12-24-26(28(27)36-23)17(10-25(32)35-24)16-8-14-4-2-3-5-21(14)34-13-16/h2-9,11-12,17,29,31H,10,13H2,1H3.
What are the key properties of 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 484.46 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2H-chromen-3-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 91636470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).