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

C166H144F9NO48 — CID 161277384

IUPAC1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)c2cc3c(cc2O)OCCO3)cc1.COc1cccc(C(=O)CCC(=O)c2cc3c(cc2O)OCCO3)c1.COc1ccccc1C(=O)CCC(=O)c1cc2c(cc1O)OCCO2.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccc(F)c1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccccn1.O=C(CCC(=O)c1ccccc1F)c1cc2c(cc1O)OCCO2
InChIInChI=1S/2C19H15F3O5.3C19H18O6.3C18H15FO5.C17H15NO5/c20-19(21,22)12-3-1-11(2-4-12)14(23)5-6-15(24)13-9-17-18(10-16(13)25)27-8-7-26-17;20-19(21,22)12-3-1-2-11(8-12)14(23)4-5-15(24)13-9-17-18(10-16(13)25)27-7-6-26-17;1-23-13-4-2-12(3-5-13)15(20)6-7-16(21)14-10-18-19(11-17(14)22)25-9-8-24-18;1-23-13-4-2-3-12(9-13)15(20)5-6-16(21)14-10-18-19(11-17(14)22)25-8-7-24-18;1-23-17-5-3-2-4-12(17)14(20)6-7-15(21)13-10-18-19(11-16(13)22)25-9-8-24-18;19-12-3-1-11(2-4-12)14(20)5-6-15(21)13-9-17-18(10-16(13)22)24-8-7-23-17;19-12-3-1-2-11(8-12)14(20)4-5-15(21)13-9-17-18(10-16(13)22)24-7-6-23-17;19-13-4-2-1-3-11(13)14(20)5-6-15(21)12-9-17-18(10-16(12)22)24-8-7-23-17;19-13(4-5-14(20)12-3-1-2-6-18-12)11-9-16-17(10-15(11)21)23-8-7-22-16/h1-4,9-10,25H,5-8H2;1-3,8-10,25H,4-7H2;2-5,10-11,22H,6-9H2,1H3;2-4,9-11,22H,5-8H2,1H3;2-5,10-11,22H,6-9H2,1H3;1-4,9-10,22H,5-8H2;1-3,8-10,22H,4-7H2;1-4,9-10,22H,5-8H2;1-3,6,9-10,21H,4-5,7-8H2
InChIKeyVEPSUZRBJDIPGR-UHFFFAOYSA-N
MW3091.92 g/mol
LogP28.96
Rot. Bonds48

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

1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 161277384) has the molecular formula C166H144F9NO48 and a molecular weight of 3091.92 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
PubChem CID161277384
Molecular FormulaC166H144F9NO48
Molecular Weight3091.92 g/mol
Exact Mass3089.87
IUPAC Name1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)c2cc3c(cc2O)OCCO3)cc1.COc1cccc(C(=O)CCC(=O)c2cc3c(cc2O)OCCO3)c1.COc1ccccc1C(=O)CCC(=O)c1cc2c(cc1O)OCCO2.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccc(F)c1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccccn1.O=C(CCC(=O)c1ccccc1F)c1cc2c(cc1O)OCCO2
InChIInChI=1S/2C19H15F3O5.3C19H18O6.3C18H15FO5.C17H15NO5/c20-19(21,22)12-3-1-11(2-4-12)14(23)5-6-15(24)13-9-17-18(10-16(13)25)27-8-7-26-17;20-19(21,22)12-3-1-2-11(8-12)14(23)4-5-15(24)13-9-17-18(10-16(13)25)27-7-6-26-17;1-23-13-4-2-12(3-5-13)15(20)6-7-16(21)14-10-18-19(11-17(14)22)25-9-8-24-18;1-23-13-4-2-3-12(9-13)15(20)5-6-16(21)14-10-18-19(11-17(14)22)25-8-7-24-18;1-23-17-5-3-2-4-12(17)14(20)6-7-15(21)13-10-18-19(11-16(13)22)25-9-8-24-18;19-12-3-1-11(2-4-12)14(20)5-6-15(21)13-9-17-18(10-16(13)22)24-8-7-23-17;19-12-3-1-2-11(8-12)14(20)4-5-15(21)13-9-17-18(10-16(13)22)24-7-6-23-17;19-13-4-2-1-3-11(13)14(20)5-6-15(21)12-9-17-18(10-16(12)22)24-8-7-23-17;19-13(4-5-14(20)12-3-1-2-6-18-12)11-9-16-17(10-15(11)21)23-8-7-22-16/h1-4,9-10,25H,5-8H2;1-3,8-10,25H,4-7H2;2-5,10-11,22H,6-9H2,1H3;2-4,9-11,22H,5-8H2,1H3;2-5,10-11,22H,6-9H2,1H3;1-4,9-10,22H,5-8H2;1-3,8-10,22H,4-7H2;1-4,9-10,22H,5-8H2;1-3,6,9-10,21H,4-5,7-8H2
InChIKeyVEPSUZRBJDIPGR-UHFFFAOYSA-N
XLogP28.96
TPSA696.05 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds48
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003091.92
LogP ≤ 528.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Analyze 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-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-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione (CID 161277384) is 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione is COc1ccc(C(=O)CCC(=O)c2cc3c(cc2O)OCCO3)cc1.COc1cccc(C(=O)CCC(=O)c2cc3c(cc2O)OCCO3)c1.COc1ccccc1C(=O)CCC(=O)c1cc2c(cc1O)OCCO2.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccc(F)cc1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1cccc(F)c1.O=C(CCC(=O)c1cc2c(cc1O)OCCO2)c1ccccn1.O=C(CCC(=O)c1ccccc1F)c1cc2c(cc1O)OCCO2.
What is the InChIKey of 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
The InChIKey is VEPSUZRBJDIPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15F3O5.3C19H18O6.3C18H15FO5.C17H15NO5/c20-19(21,22)12-3-1-11(2-4-12)14(23)5-6-15(24)13-9-17-18(10-16(13)25)27-8-7-26-17;20-19(21,22)12-3-1-2-11(8-12)14(23)4-5-15(24)13-9-17-18(10-16(13)25)27-7-6-26-17;1-23-13-4-2-12(3-5-13)15(20)6-7-16(21)14-10-18-19(11-17(14)22)25-9-8-24-18;1-23-13-4-2-3-12(9-13)15(20)5-6-16(21)14-10-18-19(11-17(14)22)25-8-7-24-18;1-23-17-5-3-2-4-12(17)14(20)6-7-15(21)13-10-18-19(11-16(13)22)25-9-8-24-18;19-12-3-1-11(2-4-12)14(20)5-6-15(21)13-9-17-18(10-16(13)22)24-8-7-23-17;19-12-3-1-2-11(8-12)14(20)4-5-15(21)13-9-17-18(10-16(13)22)24-7-6-23-17;19-13-4-2-1-3-11(13)14(20)5-6-15(21)12-9-17-18(10-16(12)22)24-8-7-23-17;19-13(4-5-14(20)12-3-1-2-6-18-12)11-9-16-17(10-15(11)21)23-8-7-22-16/h1-4,9-10,25H,5-8H2;1-3,8-10,25H,4-7H2;2-5,10-11,22H,6-9H2,1H3;2-4,9-11,22H,5-8H2,1H3;2-5,10-11,22H,6-9H2,1H3;1-4,9-10,22H,5-8H2;1-3,8-10,22H,4-7H2;1-4,9-10,22H,5-8H2;1-3,6,9-10,21H,4-5,7-8H2.
What are the key properties of 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?
1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 3091.92 g/mol, XLogP of 28.96, 48 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(3-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-methoxyphenyl)butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 161277384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).