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

C24H22O9 — CID 91637784

IUPAC6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC
InChIInChI=1S/C24H22O9/c1-10-6-17(26)32-23-19(10)22(28)20(11(2)25)24-21(23)13(8-18(27)33-24)12-7-15(30-4)16(31-5)9-14(12)29-3/h6-7,9,13,28H,8H2,1-5H3
InChIKeyGITVKERNERUSQC-UHFFFAOYSA-N
MW454.43 g/mol
LogP3.48
Rot. Bonds5

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

6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 91637784) has the molecular formula C24H22O9 and a molecular weight of 454.43 g/mol. Its IUPAC name is 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

Compound Name6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
PubChem CID91637784
Molecular FormulaC24H22O9
Molecular Weight454.43 g/mol
Exact Mass454.13
IUPAC Name6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1cc(OC)c(C2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC
InChIInChI=1S/C24H22O9/c1-10-6-17(26)32-23-19(10)22(28)20(11(2)25)24-21(23)13(8-18(27)33-24)12-7-15(30-4)16(31-5)9-14(12)29-3/h6-7,9,13,28H,8H2,1-5H3
InChIKeyGITVKERNERUSQC-UHFFFAOYSA-N
XLogP3.48
TPSA121.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The IUPAC name of 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione (CID 91637784) is 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione.
What is the SMILES notation for 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The canonical SMILES for 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione is COc1cc(OC)c(C2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1OC.
What is the InChIKey of 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The InChIKey is GITVKERNERUSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O9/c1-10-6-17(26)32-23-19(10)22(28)20(11(2)25)24-21(23)13(8-18(27)33-24)12-7-15(30-4)16(31-5)9-14(12)29-3/h6-7,9,13,28H,8H2,1-5H3.
What are the key properties of 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 454.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 91637784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).