1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

C191H177F9N4O32 — CID 157098435

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
SMILESCOc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1cccc(F)c1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H17F3O3.C20H20O4.C20H20O3.C19H16F3NO3.2C19H17FO3.C19H19NO4.C19H18O3.C18H16FNO3.C18H17NO3/c21-20(22,23)16-6-2-1-5-15(16)18(25)9-8-17(24)13-7-10-19-14(12-13)4-3-11-26-19;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;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;20-19(21,22)14-4-1-9-23-18(14)16(25)7-6-15(24)12-5-8-17-13(11-12)3-2-10-26-17;20-16-5-1-3-13(12-16)17(21)7-8-18(22)14-6-9-19-15(11-14)4-2-10-23-19;20-16-6-2-1-5-15(16)18(22)9-8-17(21)13-7-10-19-14(12-13)4-3-11-23-19;1-23-18-5-2-10-20-19(18)16(22)8-7-15(21)13-6-9-17-14(12-13)4-3-11-24-17;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;19-14-4-1-9-20-18(14)16(22)7-6-15(21)12-5-8-17-13(11-12)3-2-10-23-17;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/h1-2,5-7,10,12H,3-4,8-9,11H2;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1,4-5,8-9,11H,2-3,6-7,10H2;1,3,5-6,9,11-12H,2,4,7-8,10H2;1-2,5-7,10,12H,3-4,8-9,11H2;2,5-6,9-10,12H,3-4,7-8,11H2,1H3;1-3,5-6,8,11,13H,4,7,9-10,12H2;1,4-5,8-9,11H,2-3,6-7,10H2;1-2,5-6,9-10,12H,3-4,7-8,11H2
InChIKeyAFMCXYZELHGEQV-UHFFFAOYSA-N
MW3211.49 g/mol
LogP38.93
Rot. Bonds52

About 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (PubChem CID 157098435) has the molecular formula C191H177F9N4O32 and a molecular weight of 3211.49 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
PubChem CID157098435
Molecular FormulaC191H177F9N4O32
Molecular Weight3211.49 g/mol
Exact Mass3209.22
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
SMILESCOc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1cccc(F)c1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H17F3O3.C20H20O4.C20H20O3.C19H16F3NO3.2C19H17FO3.C19H19NO4.C19H18O3.C18H16FNO3.C18H17NO3/c21-20(22,23)16-6-2-1-5-15(16)18(25)9-8-17(24)13-7-10-19-14(12-13)4-3-11-26-19;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;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;20-19(21,22)14-4-1-9-23-18(14)16(25)7-6-15(24)12-5-8-17-13(11-12)3-2-10-26-17;20-16-5-1-3-13(12-16)17(21)7-8-18(22)14-6-9-19-15(11-14)4-2-10-23-19;20-16-6-2-1-5-15(16)18(22)9-8-17(21)13-7-10-19-14(12-13)4-3-11-23-19;1-23-18-5-2-10-20-19(18)16(22)8-7-15(21)13-6-9-17-14(12-13)4-3-11-24-17;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;19-14-4-1-9-20-18(14)16(22)7-6-15(21)12-5-8-17-13(11-12)3-2-10-23-17;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/h1-2,5-7,10,12H,3-4,8-9,11H2;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1,4-5,8-9,11H,2-3,6-7,10H2;1,3,5-6,9,11-12H,2,4,7-8,10H2;1-2,5-7,10,12H,3-4,8-9,11H2;2,5-6,9-10,12H,3-4,7-8,11H2,1H3;1-3,5-6,8,11,13H,4,7,9-10,12H2;1,4-5,8-9,11H,2-3,6-7,10H2;1-2,5-6,9-10,12H,3-4,7-8,11H2
InChIKeyAFMCXYZELHGEQV-UHFFFAOYSA-N
XLogP38.93
TPSA503.72 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds52
Heavy Atoms236
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003211.49
LogP ≤ 538.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (CID 157098435) is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is COc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1cccc(F)c1.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
The InChIKey is AFMCXYZELHGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O3.C20H20O4.C20H20O3.C19H16F3NO3.2C19H17FO3.C19H19NO4.C19H18O3.C18H16FNO3.C18H17NO3/c21-20(22,23)16-6-2-1-5-15(16)18(25)9-8-17(24)13-7-10-19-14(12-13)4-3-11-26-19;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;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;20-19(21,22)14-4-1-9-23-18(14)16(25)7-6-15(24)12-5-8-17-13(11-12)3-2-10-26-17;20-16-5-1-3-13(12-16)17(21)7-8-18(22)14-6-9-19-15(11-14)4-2-10-23-19;20-16-6-2-1-5-15(16)18(22)9-8-17(21)13-7-10-19-14(12-13)4-3-11-23-19;1-23-18-5-2-10-20-19(18)16(22)8-7-15(21)13-6-9-17-14(12-13)4-3-11-24-17;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;19-14-4-1-9-20-18(14)16(22)7-6-15(21)12-5-8-17-13(11-12)3-2-10-23-17;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/h1-2,5-7,10,12H,3-4,8-9,11H2;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1,4-5,8-9,11H,2-3,6-7,10H2;1,3,5-6,9,11-12H,2,4,7-8,10H2;1-2,5-7,10,12H,3-4,8-9,11H2;2,5-6,9-10,12H,3-4,7-8,11H2,1H3;1-3,5-6,8,11,13H,4,7,9-10,12H2;1,4-5,8-9,11H,2-3,6-7,10H2;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-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione has a molecular weight of 3211.49 g/mol, XLogP of 38.93, 52 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)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-methoxy-2-pyridinyl)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-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-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 157098435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).