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

C26H20O7 — CID 71753973

IUPAC5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccc(OC)c2)cc1
InChIInChI=1S/C26H20O7/c1-30-16-8-6-14(7-9-16)19-13-32-26-23-18(15-4-3-5-17(10-15)31-2)11-22(28)33-21(23)12-20(27)24(26)25(19)29/h3-10,12-13,18,27H,11H2,1-2H3
InChIKeySEMOJFXFPCQXJH-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.62
Rot. Bonds4

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

5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 71753973) has the molecular formula C26H20O7 and a molecular weight of 444.44 g/mol. Its IUPAC name is 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID71753973
Molecular FormulaC26H20O7
Molecular Weight444.44 g/mol
Exact Mass444.12
IUPAC Name5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccc(OC)c2)cc1
InChIInChI=1S/C26H20O7/c1-30-16-8-6-14(7-9-16)19-13-32-26-23-18(15-4-3-5-17(10-15)31-2)11-22(28)33-21(23)12-20(27)24(26)25(19)29/h3-10,12-13,18,27H,11H2,1-2H3
InChIKeySEMOJFXFPCQXJH-UHFFFAOYSA-N
XLogP4.62
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045645
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045944
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-quinoxalin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045635
(10S)-5-hydroxy-10-(2-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 96544551
(10S)-5-hydroxy-3-(4-methoxyphenyl)-10-(1-methylpyrazol-4-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045786
5-hydroxy-3-(4-methoxyphenyl)-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71754809
(10R)-5-hydroxy-3-(4-methoxyphenyl)-10-naphthalen-1-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045925
[4-[(10S)-5-hydroxy-3-(4-methoxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2,6-dimethoxyphenyl] acetate
CID 97045687
(10S)-5-hydroxy-3-(4-methoxyphenyl)-10-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045745
5-hydroxy-3-(4-methoxyphenyl)-10-[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71754724
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424618
2-[4-[5-hydroxy-3-(4-methoxyphenyl)-4,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]-2-methoxyphenoxy]acetic acid
CID 71755285

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 71753973) is 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccc(-c2coc3c4c(cc(O)c3c2=O)OC(=O)CC4c2cccc(OC)c2)cc1.
What is the InChIKey of 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is SEMOJFXFPCQXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O7/c1-30-16-8-6-14(7-9-16)19-13-32-26-23-18(15-4-3-5-17(10-15)31-2)11-22(28)33-21(23)12-20(27)24(26)25(19)29/h3-10,12-13,18,27H,11H2,1-2H3.
What are the key properties of 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 444.44 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-10-(3-methoxyphenyl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 71753973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).