5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione

C190H110F6O59S — CID 158643366

IUPAC5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione
SMILESCC(C)(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1.CC(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)C(F)(F)F.Cc1cc(CC(=O)c2ccc3c(c2)C(=O)OC3=O)ccc1-c1ccc(CC(=O)c2ccc3c(c2)C(=O)OC3=O)cc1C(F)(F)F.O=C(Cc1cc(Oc2ccc(O)c(CC(=O)c3ccc4c(c3)C(=O)OC4=O)c2)ccc1O)c1ccc2c(c1)C(=O)OC2=O.O=C(Cc1cc(S(=O)(=O)c2ccc(O)c(CC(=O)c3ccc4c(c3)C(=O)OC4=O)c2)ccc1O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(Oc3ccc(Oc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21
InChIInChI=1S/C35H21F3O10.C35H24O10.C34H19F3O8.C32H18O12S.C32H18O11.C22H10O8/c1-34(35(36,37)38,20-4-8-26(39)18(10-20)14-28(41)16-2-6-22-24(12-16)32(45)47-30(22)43)21-5-9-27(40)19(11-21)15-29(42)17-3-7-23-25(13-17)33(46)48-31(23)44;1-35(2,21-5-9-27(36)19(11-21)15-29(38)17-3-7-23-25(13-17)33(42)44-31(23)40)22-6-10-28(37)20(12-22)16-30(39)18-4-8-24-26(14-18)34(43)45-32(24)41;1-16-10-17(12-28(38)19-4-8-23-25(14-19)32(42)44-30(23)40)2-6-21(16)22-7-3-18(11-27(22)34(35,36)37)13-29(39)20-5-9-24-26(15-20)33(43)45-31(24)41;33-25-7-3-19(9-17(25)13-27(35)15-1-5-21-23(11-15)31(39)43-29(21)37)45(41,42)20-4-8-26(34)18(10-20)14-28(36)16-2-6-22-24(12-16)32(40)44-30(22)38;33-25-7-3-19(9-17(25)13-27(35)15-1-5-21-23(11-15)31(39)42-29(21)37)41-20-4-8-26(34)18(10-20)14-28(36)16-2-6-22-24(12-16)32(40)43-30(22)38;23-19-15-7-5-13(9-17(15)21(25)29-19)27-11-1-2-12(4-3-11)28-14-6-8-16-18(10-14)22(26)30-20(16)24/h2-13,39-40H,14-15H2,1H3;3-14,36-37H,15-16H2,1-2H3;2-11,14-15H,12-13H2,1H3;1-12,33-34H,13-14H2;1-12,33-34H,13-14H2;1-10H
InChIKeyIAQVMJMGNVQIHD-UHFFFAOYSA-N
MW3482.97 g/mol
LogP28.14
Rot. Bonds43

About 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione

5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione (PubChem CID 158643366) has the molecular formula C190H110F6O59S and a molecular weight of 3482.97 g/mol. Its IUPAC name is 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione
PubChem CID158643366
Molecular FormulaC190H110F6O59S
Molecular Weight3482.97 g/mol
Exact Mass3480.52
IUPAC Name5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione
SMILESCC(C)(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1.CC(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)C(F)(F)F.Cc1cc(CC(=O)c2ccc3c(c2)C(=O)OC3=O)ccc1-c1ccc(CC(=O)c2ccc3c(c2)C(=O)OC3=O)cc1C(F)(F)F.O=C(Cc1cc(Oc2ccc(O)c(CC(=O)c3ccc4c(c3)C(=O)OC4=O)c2)ccc1O)c1ccc2c(c1)C(=O)OC2=O.O=C(Cc1cc(S(=O)(=O)c2ccc(O)c(CC(=O)c3ccc4c(c3)C(=O)OC4=O)c2)ccc1O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(Oc3ccc(Oc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21
InChIInChI=1S/C35H21F3O10.C35H24O10.C34H19F3O8.C32H18O12S.C32H18O11.C22H10O8/c1-34(35(36,37)38,20-4-8-26(39)18(10-20)14-28(41)16-2-6-22-24(12-16)32(45)47-30(22)43)21-5-9-27(40)19(11-21)15-29(42)17-3-7-23-25(13-17)33(46)48-31(23)44;1-35(2,21-5-9-27(36)19(11-21)15-29(38)17-3-7-23-25(13-17)33(42)44-31(23)40)22-6-10-28(37)20(12-22)16-30(39)18-4-8-24-26(14-18)34(43)45-32(24)41;1-16-10-17(12-28(38)19-4-8-23-25(14-19)32(42)44-30(23)40)2-6-21(16)22-7-3-18(11-27(22)34(35,36)37)13-29(39)20-5-9-24-26(15-20)33(43)45-31(24)41;33-25-7-3-19(9-17(25)13-27(35)15-1-5-21-23(11-15)31(39)43-29(21)37)45(41,42)20-4-8-26(34)18(10-20)14-28(36)16-2-6-22-24(12-16)32(40)44-30(22)38;33-25-7-3-19(9-17(25)13-27(35)15-1-5-21-23(11-15)31(39)42-29(21)37)41-20-4-8-26(34)18(10-20)14-28(36)16-2-6-22-24(12-16)32(40)43-30(22)38;23-19-15-7-5-13(9-17(15)21(25)29-19)27-11-1-2-12(4-3-11)28-14-6-8-16-18(10-14)22(26)30-20(16)24/h2-13,39-40H,14-15H2,1H3;3-14,36-37H,15-16H2,1-2H3;2-11,14-15H,12-13H2,1H3;1-12,33-34H,13-14H2;1-12,33-34H,13-14H2;1-10H
InChIKeyIAQVMJMGNVQIHD-UHFFFAOYSA-N
XLogP28.14
TPSA914.81 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds43
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003482.97
LogP ≤ 528.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione (CID 158643366) is 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione is CC(C)(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1.CC(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)(c1ccc(O)c(CC(=O)c2ccc3c(c2)C(=O)OC3=O)c1)C(F)(F)F.Cc1cc(CC(=O)c2ccc3c(c2)C(=O)OC3=O)ccc1-c1ccc(CC(=O)c2ccc3c(c2)C(=O)OC3=O)cc1C(F)(F)F.O=C(Cc1cc(Oc2ccc(O)c(CC(=O)c3ccc4c(c3)C(=O)OC4=O)c2)ccc1O)c1ccc2c(c1)C(=O)OC2=O.O=C(Cc1cc(S(=O)(=O)c2ccc(O)c(CC(=O)c3ccc4c(c3)C(=O)OC4=O)c2)ccc1O)c1ccc2c(c1)C(=O)OC2=O.O=C1OC(=O)c2cc(Oc3ccc(Oc4ccc5c(c4)C(=O)OC5=O)cc3)ccc21.
What is the InChIKey of 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione?
The InChIKey is IAQVMJMGNVQIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21F3O10.C35H24O10.C34H19F3O8.C32H18O12S.C32H18O11.C22H10O8/c1-34(35(36,37)38,20-4-8-26(39)18(10-20)14-28(41)16-2-6-22-24(12-16)32(45)47-30(22)43)21-5-9-27(40)19(11-21)15-29(42)17-3-7-23-25(13-17)33(46)48-31(23)44;1-35(2,21-5-9-27(36)19(11-21)15-29(38)17-3-7-23-25(13-17)33(42)44-31(23)40)22-6-10-28(37)20(12-22)16-30(39)18-4-8-24-26(14-18)34(43)45-32(24)41;1-16-10-17(12-28(38)19-4-8-23-25(14-19)32(42)44-30(23)40)2-6-21(16)22-7-3-18(11-27(22)34(35,36)37)13-29(39)20-5-9-24-26(15-20)33(43)45-31(24)41;33-25-7-3-19(9-17(25)13-27(35)15-1-5-21-23(11-15)31(39)43-29(21)37)45(41,42)20-4-8-26(34)18(10-20)14-28(36)16-2-6-22-24(12-16)32(40)44-30(22)38;33-25-7-3-19(9-17(25)13-27(35)15-1-5-21-23(11-15)31(39)42-29(21)37)41-20-4-8-26(34)18(10-20)14-28(36)16-2-6-22-24(12-16)32(40)43-30(22)38;23-19-15-7-5-13(9-17(15)21(25)29-19)27-11-1-2-12(4-3-11)28-14-6-8-16-18(10-14)22(26)30-20(16)24/h2-13,39-40H,14-15H2,1H3;3-14,36-37H,15-16H2,1-2H3;2-11,14-15H,12-13H2,1H3;1-12,33-34H,13-14H2;1-12,33-34H,13-14H2;1-10H.
What are the key properties of 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione?
5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione has a molecular weight of 3482.97 g/mol, XLogP of 28.14, 43 rotatable bonds, 8 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenoxy]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]propan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]sulfonyl-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[5-[2-[3-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-4-hydroxyphenyl]-1,1,1-trifluoropropan-2-yl]-2-hydroxyphenyl]acetyl]-2-benzofuran-1,3-dione;5-[2-[4-[4-[2-(1,3-dioxo-2-benzofuran-5-yl)-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]acetyl]-2-benzofuran-1,3-dione;5-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenoxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 158643366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).