1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione

C178H166F4N10O32S — CID 161158250

About 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione

1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione (PubChem CID 161158250) has the molecular formula C178H166F4N10O32S and a molecular weight of 3065.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione
• PubChem CID: 161158250
• Molecular Formula: C178H166F4N10O32S
• Molecular Weight: 3065.38 g/mol
• Exact Mass: 3063.13
• IUPAC Name: 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione
• SMILES: Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1cncnc1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccnnc1.O=C(CCC(=O)c1cccnn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccco1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccncn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)CCCO2
• InChI: InChI=1S/3C20H20O3.4C17H16N2O3.C17H16O4.C17H16O3S.C16H10F4N2O4/c1-14-4-2-5-15(12-14)18(21)8-9-19(22)16-7-10-20-17(13-16)6-3-11-23-20;1-14-4-6-15(7-5-14)18(21)9-10-19(22)16-8-11-20-17(13-16)3-2-12-23-20;1-14-5-2-3-7-17(14)19(22)10-9-18(21)15-8-11-20-16(13-15)6-4-12-23-20;20-15(6-7-16(21)14-4-1-9-18-19-14)12-5-8-17-13(11-12)3-2-10-22-17;20-14(5-6-15(21)17-18-8-2-9-19-17)12-4-7-16-13(11-12)3-1-10-22-16;20-15(4-5-16(21)14-7-8-18-11-19-14)12-3-6-17-13(10-12)2-1-9-22-17;20-15(4-5-16(21)14-9-18-11-19-10-14)12-3-6-17-13(8-12)2-1-7-22-17;2*18-14(6-7-15(19)17-4-2-10-21-17)12-5-8-16-13(11-12)3-1-9-20-16;17-15(18)16(19,20)26-14-7-9(1-4-13(14)25-15)11(23)2-3-12(24)10-5-6-21-22-8-10/h2,4-5,7,10,12-13H,3,6,8-9,11H2,1H3;4-8,11,13H,2-3,9-10,12H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1,4-5,8-9,11H,2-3,6-7,10H2;2,4,7-9,11H,1,3,5-6,10H2;3,6-8,10-11H,1-2,4-5,9H2;3,6,8-11H,1-2,4-5,7H2;2*2,4-5,8,10-11H,1,3,6-7,9H2;1,4-8H,2-3H2
• InChIKey: UPOSZHVYKNNWAM-UHFFFAOYSA-N
• XLogP: 33.74
• TPSA: 584.97 Ų
• H-Bond Acceptors: 43
• Rotatable Bonds: 50
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3065.38
LogP ≤ 5	33.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione?

The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione (CID 161158250) is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione.

What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione?

The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione is Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1cncnc1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccnnc1.O=C(CCC(=O)c1cccnn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccco1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccncn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)CCCO2.

What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione?

The InChIKey is UPOSZHVYKNNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H20O3.4C17H16N2O3.C17H16O4.C17H16O3S.C16H10F4N2O4/c1-14-4-2-5-15(12-14)18(21)8-9-19(22)16-7-10-20-17(13-16)6-3-11-23-20;1-14-4-6-15(7-5-14)18(21)9-10-19(22)16-8-11-20-17(13-16)3-2-12-23-20;1-14-5-2-3-7-17(14)19(22)10-9-18(21)15-8-11-20-16(13-15)6-4-12-23-20;20-15(6-7-16(21)14-4-1-9-18-19-14)12-5-8-17-13(11-12)3-2-10-22-17;20-14(5-6-15(21)17-18-8-2-9-19-17)12-4-7-16-13(11-12)3-1-10-22-16;20-15(4-5-16(21)14-7-8-18-11-19-14)12-3-6-17-13(10-12)2-1-9-22-17;20-15(4-5-16(21)14-9-18-11-19-10-14)12-3-6-17-13(8-12)2-1-7-22-17;2*18-14(6-7-15(19)17-4-2-10-21-17)12-5-8-16-13(11-12)3-1-9-20-16;17-15(18)16(19,20)26-14-7-9(1-4-13(14)25-15)11(23)2-3-12(24)10-5-6-21-22-8-10/h2,4-5,7,10,12-13H,3,6,8-9,11H2,1H3;4-8,11,13H,2-3,9-10,12H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1,4-5,8-9,11H,2-3,6-7,10H2;2,4,7-9,11H,1,3,5-6,10H2;3,6-8,10-11H,1-2,4-5,9H2;3,6,8-11H,1-2,4-5,7H2;2*2,4-5,8,10-11H,1,3,6-7,9H2;1,4-8H,2-3H2.

What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione?

1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione has a molecular weight of 3065.38 g/mol, XLogP of 33.74, 50 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(furan-2-yl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridazin-3-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-4-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyrimidin-5-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione;1-pyridazin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione is sourced from PubChem (CID 161158250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).