1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

C171H157F8N3O31 — CID 157321344

About 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 157321344) has the molecular formula C171H157F8N3O31 and a molecular weight of 2902.11 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
• PubChem CID: 157321344
• Molecular Formula: C171H157F8N3O31
• Molecular Weight: 2902.11 g/mol
• Exact Mass: 2900.07
• IUPAC Name: 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
• SMILES: COc1ccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)cc1.COc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1cccnc1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccncc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2
• InChI: InChI=1S/3C20H20O4.C19H11F7O4.C19H17FO3.C19H18O3.3C18H17NO3/c1-23-17-6-2-4-14(13-17)18(21)8-9-19(22)15-7-10-20-16(12-15)5-3-11-24-20;1-23-17-7-4-14(5-8-17)18(21)9-10-19(22)15-6-11-20-16(13-15)3-2-12-24-20;1-23-20-7-3-2-6-16(20)18(22)10-9-17(21)14-8-11-19-15(13-14)5-4-12-24-19;20-17(21,22)12-4-2-1-3-11(12)14(28)7-6-13(27)10-5-8-15-16(9-10)30-19(25,26)18(23,24)29-15;20-16-6-3-13(4-7-16)17(21)8-9-18(22)14-5-10-19-15(12-14)2-1-11-23-19;20-17(14-5-2-1-3-6-14)9-10-18(21)15-8-11-19-16(13-15)7-4-12-22-19;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(13-7-9-19-10-8-13)4-5-17(21)14-3-6-18-15(12-14)2-1-11-22-18;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/h2,4,6-7,10,12-13H,3,5,8-9,11H2,1H3;4-8,11,13H,2-3,9-10,12H2,1H3;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;1-5,8-9H,6-7H2;3-7,10,12H,1-2,8-9,11H2;1-3,5-6,8,11,13H,4,7,9-10,12H2;1,3,5,8-9,11-12H,2,4,6-7,10H2;3,6-10,12H,1-2,4-5,11H2;1-2,5-6,9-10,12H,3-4,7-8,11H2
• InChIKey: BEEWBIJSCHZAPV-UHFFFAOYSA-N
• XLogP: 34.72
• TPSA: 465.92 Ų
• H-Bond Acceptors: 34
• Rotatable Bonds: 48
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2902.11
LogP ≤ 5	34.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

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-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (CID 157321344) is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is COc1ccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)cc1.COc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)c1.COc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1cccnc1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccncc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2.

What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

The InChIKey is BEEWBIJSCHZAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H20O4.C19H11F7O4.C19H17FO3.C19H18O3.3C18H17NO3/c1-23-17-6-2-4-14(13-17)18(21)8-9-19(22)15-7-10-20-16(12-15)5-3-11-24-20;1-23-17-7-4-14(5-8-17)18(21)9-10-19(22)15-6-11-20-16(13-15)3-2-12-24-20;1-23-20-7-3-2-6-16(20)18(22)10-9-17(21)14-8-11-19-15(13-14)5-4-12-24-19;20-17(21,22)12-4-2-1-3-11(12)14(28)7-6-13(27)10-5-8-15-16(9-10)30-19(25,26)18(23,24)29-15;20-16-6-3-13(4-7-16)17(21)8-9-18(22)14-5-10-19-15(12-14)2-1-11-23-19;20-17(14-5-2-1-3-6-14)9-10-18(21)15-8-11-19-16(13-15)7-4-12-22-19;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(13-7-9-19-10-8-13)4-5-17(21)14-3-6-18-15(12-14)2-1-11-22-18;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/h2,4,6-7,10,12-13H,3,5,8-9,11H2,1H3;4-8,11,13H,2-3,9-10,12H2,1H3;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;1-5,8-9H,6-7H2;3-7,10,12H,1-2,8-9,11H2;1-3,5-6,8,11,13H,4,7,9-10,12H2;1,3,5,8-9,11-12H,2,4,6-7,10H2;3,6-10,12H,1-2,4-5,11H2;1-2,5-6,9-10,12H,3-4,7-8,11H2.

What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?

1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 2902.11 g/mol, XLogP of 34.72, 48 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-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-pyridin-4-ylbutane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 157321344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).