4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

C27H22O6 — CID 110206029

IUPAC4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1OC
InChIInChI=1S/C27H22O6/c1-15-11-22-26(18(13-23(28)32-22)16-7-5-4-6-8-16)27-25(15)19(14-24(29)33-27)17-9-10-20(30-2)21(12-17)31-3/h4-13,19H,14H2,1-3H3
InChIKeyAGTFYFKVYOAGKH-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.23
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione

4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 110206029) has the molecular formula C27H22O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
PubChem CID110206029
Molecular FormulaC27H22O6
Molecular Weight442.47 g/mol
Exact Mass442.14
IUPAC Name4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1OC
InChIInChI=1S/C27H22O6/c1-15-11-22-26(18(13-23(28)32-22)16-7-5-4-6-8-16)27-25(15)19(14-24(29)33-27)17-9-10-20(30-2)21(12-17)31-3/h4-13,19H,14H2,1-3H3
InChIKeyAGTFYFKVYOAGKH-UHFFFAOYSA-N
XLogP5.23
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione (CID 110206029) is 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is COc1ccc(C2CC(=O)Oc3c2c(C)cc2oc(=O)cc(-c4ccccc4)c32)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
The InChIKey is AGTFYFKVYOAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O6/c1-15-11-22-26(18(13-23(28)32-22)16-7-5-4-6-8-16)27-25(15)19(14-24(29)33-27)17-9-10-20(30-2)21(12-17)31-3/h4-13,19H,14H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione?
4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 442.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 110206029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).