1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione

C163H136F12N2O45 — CID 160612192

IUPAC1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESO=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccccc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccnc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccncc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1cccc(F)c1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccccc1F
InChIInChI=1S/3C19H15F3O5.3C18H15FO5.C18H16O5.2C17H15NO5/c20-19(21,22)12-3-1-11(2-4-12)14(23)6-7-15(24)13-5-8-16-18(17(13)25)27-10-9-26-16;20-19(21,22)12-3-1-2-11(10-12)14(23)5-6-15(24)13-4-7-16-18(17(13)25)27-9-8-26-16;20-19(21,22)13-4-2-1-3-11(13)14(23)6-7-15(24)12-5-8-16-18(17(12)25)27-10-9-26-16;19-12-3-1-11(2-4-12)14(20)6-7-15(21)13-5-8-16-18(17(13)22)24-10-9-23-16;19-12-3-1-2-11(10-12)14(20)5-6-15(21)13-4-7-16-18(17(13)22)24-9-8-23-16;19-13-4-2-1-3-11(13)14(20)6-7-15(21)12-5-8-16-18(17(12)22)24-10-9-23-16;19-14(12-4-2-1-3-5-12)6-7-15(20)13-10-17-18(11-16(13)21)23-9-8-22-17;19-13(11-3-5-18-6-4-11)1-2-14(20)12-9-16-17(10-15(12)21)23-8-7-22-16;19-13(11-2-1-5-18-10-11)3-4-14(20)12-8-16-17(9-15(12)21)23-7-6-22-16/h1-5,8,25H,6-7,9-10H2;1-4,7,10,25H,5-6,8-9H2;1-5,8,25H,6-7,9-10H2;1-5,8,22H,6-7,9-10H2;1-4,7,10,22H,5-6,8-9H2;1-5,8,22H,6-7,9-10H2;1-5,10-11,21H,6-9H2;3-6,9-10,21H,1-2,7-8H2;1-2,5,8-10,21H,3-4,6-7H2
InChIKeyRFQBGHVVZOLBDL-UHFFFAOYSA-N
MW3070.83 g/mol
LogP29.35
Rot. Bonds45

About 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione

1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 160612192) has the molecular formula C163H136F12N2O45 and a molecular weight of 3070.83 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
PubChem CID160612192
Molecular FormulaC163H136F12N2O45
Molecular Weight3070.83 g/mol
Exact Mass3068.82
IUPAC Name1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESO=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccccc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccnc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccncc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1cccc(F)c1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccccc1F
InChIInChI=1S/3C19H15F3O5.3C18H15FO5.C18H16O5.2C17H15NO5/c20-19(21,22)12-3-1-11(2-4-12)14(23)6-7-15(24)13-5-8-16-18(17(13)25)27-10-9-26-16;20-19(21,22)12-3-1-2-11(10-12)14(23)5-6-15(24)13-4-7-16-18(17(13)25)27-9-8-26-16;20-19(21,22)13-4-2-1-3-11(13)14(23)6-7-15(24)12-5-8-16-18(17(12)25)27-10-9-26-16;19-12-3-1-11(2-4-12)14(20)6-7-15(21)13-5-8-16-18(17(13)22)24-10-9-23-16;19-12-3-1-2-11(10-12)14(20)5-6-15(21)13-4-7-16-18(17(13)22)24-9-8-23-16;19-13-4-2-1-3-11(13)14(20)6-7-15(21)12-5-8-16-18(17(12)22)24-10-9-23-16;19-14(12-4-2-1-3-5-12)6-7-15(20)13-10-17-18(11-16(13)21)23-9-8-22-17;19-13(11-3-5-18-6-4-11)1-2-14(20)12-9-16-17(10-15(12)21)23-8-7-22-16;19-13(11-2-1-5-18-10-11)3-4-14(20)12-8-16-17(9-15(12)21)23-7-6-22-16/h1-5,8,25H,6-7,9-10H2;1-4,7,10,25H,5-6,8-9H2;1-5,8,25H,6-7,9-10H2;1-5,8,22H,6-7,9-10H2;1-4,7,10,22H,5-6,8-9H2;1-5,8,22H,6-7,9-10H2;1-5,10-11,21H,6-9H2;3-6,9-10,21H,1-2,7-8H2;1-2,5,8-10,21H,3-4,6-7H2
InChIKeyRFQBGHVVZOLBDL-UHFFFAOYSA-N
XLogP29.35
TPSA681.25 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds45
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003070.83
LogP ≤ 529.35
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

Analyze 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione (CID 160612192) is 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione is O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccccc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccnc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccncc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1cccc(F)c1.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccccc1C(F)(F)F.O=C(CCC(=O)c1ccc2c(c1O)OCCO2)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
The InChIKey is RFQBGHVVZOLBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H15F3O5.3C18H15FO5.C18H16O5.2C17H15NO5/c20-19(21,22)12-3-1-11(2-4-12)14(23)6-7-15(24)13-5-8-16-18(17(13)25)27-10-9-26-16;20-19(21,22)12-3-1-2-11(10-12)14(23)5-6-15(24)13-4-7-16-18(17(13)25)27-9-8-26-16;20-19(21,22)13-4-2-1-3-11(13)14(23)6-7-15(24)12-5-8-16-18(17(12)25)27-10-9-26-16;19-12-3-1-11(2-4-12)14(20)6-7-15(21)13-5-8-16-18(17(13)22)24-10-9-23-16;19-12-3-1-2-11(10-12)14(20)5-6-15(21)13-4-7-16-18(17(13)22)24-9-8-23-16;19-13-4-2-1-3-11(13)14(20)6-7-15(21)12-5-8-16-18(17(12)22)24-10-9-23-16;19-14(12-4-2-1-3-5-12)6-7-15(20)13-10-17-18(11-16(13)21)23-9-8-22-17;19-13(11-3-5-18-6-4-11)1-2-14(20)12-9-16-17(10-15(12)21)23-8-7-22-16;19-13(11-2-1-5-18-10-11)3-4-14(20)12-8-16-17(9-15(12)21)23-7-6-22-16/h1-5,8,25H,6-7,9-10H2;1-4,7,10,25H,5-6,8-9H2;1-5,8,25H,6-7,9-10H2;1-5,8,22H,6-7,9-10H2;1-4,7,10,22H,5-6,8-9H2;1-5,8,22H,6-7,9-10H2;1-5,10-11,21H,6-9H2;3-6,9-10,21H,1-2,7-8H2;1-2,5,8-10,21H,3-4,6-7H2.
What are the key properties of 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 3070.83 g/mol, XLogP of 29.35, 45 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-3-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-4-ylbutane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 160612192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).