8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

C155H96F6O28 — CID 158198567

About 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one

8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (PubChem CID 158198567) has the molecular formula C155H96F6O28 and a molecular weight of 2520.43 g/mol. Its IUPAC name is 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

Molecular Properties

• Compound Name: 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
• PubChem CID: 158198567
• Molecular Formula: C155H96F6O28
• Molecular Weight: 2520.43 g/mol
• Exact Mass: 2518.60
• IUPAC Name: 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one
• SMILES: Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cc(F)ccc3F)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(F)c(F)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(F)cc3F)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc4c(c3)OCCO4)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c12.Cc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c(C)c1
• InChI: InChI=1S/C27H18O6.C27H20O4.C26H16O6.3C25H14F2O4/c1-15-13-22(28)33-26-18(15)8-10-20-24(26)23(16-5-3-2-4-6-16)27(32-20)25(29)17-7-9-19-21(14-17)31-12-11-30-19;1-15-9-10-19(16(2)13-15)25(29)27-23(18-7-5-4-6-8-18)24-21(30-27)12-11-20-17(3)14-22(28)31-26(20)24;1-14-11-21(27)32-25-17(14)8-10-19-23(25)22(15-5-3-2-4-6-15)26(31-19)24(28)16-7-9-18-20(12-16)30-13-29-18;1-13-11-20(28)31-24-16(13)8-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-12-15(26)7-9-18(17)27;1-13-11-20(28)31-24-16(13)8-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)15-7-9-17(26)18(27)12-15;1-13-11-20(28)31-24-16(13)9-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-8-7-15(26)12-18(17)27/h2-10,13-14H,11-12H2,1H3;4-14H,1-3H3;2-12H,13H2,1H3;3*2-12H,1H3
• InChIKey: GAQLVVUTAFVVIE-UHFFFAOYSA-N
• XLogP: 35.43
• TPSA: 399.44 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.43
LogP ≤ 5	35.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?

The IUPAC name of 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one (CID 158198567) is 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one.

What is the SMILES notation for 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?

The canonical SMILES for 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1oc(C(=O)c3cc(F)ccc3F)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(F)c(F)c3)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(F)cc3F)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc4c(c3)OCCO4)c(-c3ccccc3)c12.Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc4c(c3)OCO4)c(-c3ccccc3)c12.Cc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)c(C)c1.

What is the InChIKey of 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?

The InChIKey is GAQLVVUTAFVVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O6.C27H20O4.C26H16O6.3C25H14F2O4/c1-15-13-22(28)33-26-18(15)8-10-20-24(26)23(16-5-3-2-4-6-16)27(32-20)25(29)17-7-9-19-21(14-17)31-12-11-30-19;1-15-9-10-19(16(2)13-15)25(29)27-23(18-7-5-4-6-8-18)24-21(30-27)12-11-20-17(3)14-22(28)31-26(20)24;1-14-11-21(27)32-25-17(14)8-10-19-23(25)22(15-5-3-2-4-6-15)26(31-19)24(28)16-7-9-18-20(12-16)30-13-29-18;1-13-11-20(28)31-24-16(13)8-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-12-15(26)7-9-18(17)27;1-13-11-20(28)31-24-16(13)8-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)15-7-9-17(26)18(27)12-15;1-13-11-20(28)31-24-16(13)9-10-19-22(24)21(14-5-3-2-4-6-14)25(30-19)23(29)17-8-7-15(26)12-18(17)27/h2-10,13-14H,11-12H2,1H3;4-14H,1-3H3;2-12H,13H2,1H3;3*2-12H,1H3.

What are the key properties of 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one?

8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one has a molecular weight of 2520.43 g/mol, XLogP of 35.43, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,3-benzodioxole-5-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,5-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(3,4-difluorobenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one;8-(2,4-dimethylbenzoyl)-4-methyl-9-phenylfuro[2,3-h]chromen-2-one is sourced from PubChem (CID 158198567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).