6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione

C23H20O8 — CID 102564845

IUPAC6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccc(C2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1
InChIInChI=1S/C23H20O8/c1-10-7-16(25)30-22-18(10)21(27)19(11(2)24)23-20(22)14(9-17(26)31-23)13-6-5-12(28-3)8-15(13)29-4/h5-8,14,27H,9H2,1-4H3
InChIKeyUZLGKQJHJWWPCE-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.47
Rot. Bonds4

About 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione

6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 102564845) has the molecular formula C23H20O8 and a molecular weight of 424.41 g/mol. Its IUPAC name is 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

Compound Name6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
PubChem CID102564845
Molecular FormulaC23H20O8
Molecular Weight424.41 g/mol
Exact Mass424.12
IUPAC Name6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccc(C2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1
InChIInChI=1S/C23H20O8/c1-10-7-16(25)30-22-18(10)21(27)19(11(2)24)23-20(22)14(9-17(26)31-23)13-6-5-12(28-3)8-15(13)29-4/h5-8,14,27H,9H2,1-4H3
InChIKeyUZLGKQJHJWWPCE-UHFFFAOYSA-N
XLogP3.47
TPSA112.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 99985297
6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 91637784
2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide
CID 99999071
6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 91636673
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355821
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97045944
(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488578
2-(2,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 44608053
5,6-dihydroxy-10-(4-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827157

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The IUPAC name of 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione (CID 102564845) is 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione.
What is the SMILES notation for 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The canonical SMILES for 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione is COc1ccc(C2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c(OC)c1.
What is the InChIKey of 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The InChIKey is UZLGKQJHJWWPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O8/c1-10-7-16(25)30-22-18(10)21(27)19(11(2)24)23-20(22)14(9-17(26)31-23)13-6-5-12(28-3)8-15(13)29-4/h5-8,14,27H,9H2,1-4H3.
What are the key properties of 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 424.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 102564845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).