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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione

C164H153F4N5O29S — CID 158038205

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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione (PubChem CID 158038205) has the molecular formula C164H153F4N5O29S and a molecular weight of 2766.09 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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione
• PubChem CID: 158038205
• Molecular Formula: C164H153F4N5O29S
• Molecular Weight: 2766.09 g/mol
• Exact Mass: 2764.03
• 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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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)c1cccnc1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccco1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)CCCO2
• InChI: InChI=1S/3C20H20O3.2C18H17NO3.C17H11F4NO4.C17H16N2O3.C17H16O4.C17H16O3S/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;20-16(6-7-17(21)15-3-1-9-19-12-15)13-5-8-18-14(11-13)4-2-10-22-18;20-16(7-8-17(21)15-5-1-2-10-19-15)13-6-9-18-14(12-13)4-3-11-22-18;18-16(19)17(20,21)26-15-8-10(3-6-14(15)25-16)12(23)4-5-13(24)11-2-1-7-22-9-11;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;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/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;1,3,5,8-9,11-12H,2,4,6-7,10H2;1-2,5-6,9-10,12H,3-4,7-8,11H2;1-3,6-9H,4-5H2;2,4,7-9,11H,1,3,5-6,10H2;2*2,4-5,8,10-11H,1,3,6-7,9H2
• InChIKey: FIAJVFHRLWNAGJ-UHFFFAOYSA-N
• XLogP: 32.90
• TPSA: 477.15 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 45
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2766.09
LogP ≤ 5	32.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione (CID 158038205) 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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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)c1cccnc1.O=C(CCC(=O)c1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1cccnc1.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccco1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1cccs1)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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione?

The InChIKey is FIAJVFHRLWNAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H20O3.2C18H17NO3.C17H11F4NO4.C17H16N2O3.C17H16O4.C17H16O3S/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;20-16(6-7-17(21)15-3-1-9-19-12-15)13-5-8-18-14(11-13)4-2-10-22-18;20-16(7-8-17(21)15-5-1-2-10-19-15)13-6-9-18-14(12-13)4-3-11-22-18;18-16(19)17(20,21)26-15-8-10(3-6-14(15)25-16)12(23)4-5-13(24)11-2-1-7-22-9-11;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;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/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;1,3,5,8-9,11-12H,2,4,6-7,10H2;1-2,5-6,9-10,12H,3-4,7-8,11H2;1-3,6-9H,4-5H2;2,4,7-9,11H,1,3,5-6,10H2;2*2,4-5,8,10-11H,1,3,6-7,9H2.

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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione has a molecular weight of 2766.09 g/mol, XLogP of 32.90, 45 rotatable bonds, 0 hydrogen bond donors, and 35 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-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-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-thiophen-2-ylbutane-1,4-dione;1-pyridin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione is sourced from PubChem (CID 158038205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).