5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C173H83F5O60 — CID 159767039

IUPAC5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESC=C1OC(=O)c2ccc(Oc3ccc(C(O)(O)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)cc21.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.CC(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)C(F)(F)F.O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=c1oc(=O)c2c(=O)c3c(=O)oc(=O)c3c(=O)c12.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12
InChIInChI=1S/C31H17F3O8.C31H20O8.C30H18O9.C29H14F2O8.C16H6O7.C16H6O6.C10O8.C10H2O6/c1-30(31(32,33)34,16-2-6-18(7-3-16)39-20-10-12-22-24(14-20)28(37)41-26(22)35)17-4-8-19(9-5-17)40-21-11-13-23-25(15-21)29(38)42-27(23)36;1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;1-16-25-14-21(10-12-23(25)27(31)36-16)37-19-6-2-17(3-7-19)30(34,35)18-4-8-20(9-5-18)38-22-11-13-24-26(15-22)29(33)39-28(24)32;30-29(31,15-1-5-17(6-2-15)36-19-9-11-21-23(13-19)27(34)38-25(21)32)16-3-7-18(8-4-16)37-20-10-12-22-24(14-20)28(35)39-26(22)33;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18;11-5-1-2(8(14)17-7(1)13)6(12)4-3(5)9(15)18-10(4)16;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h2-15H,1H3;3-16H,1-2H3;2-15,34-35H,1H2;1-14H;1-6H;1-6H;;1-2H
InChIKeyNFQDJQIXJDGDPY-UHFFFAOYSA-N
MW3216.50 g/mol
LogP25.14
Rot. Bonds27

About 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 159767039) has the molecular formula C173H83F5O60 and a molecular weight of 3216.50 g/mol. Its IUPAC name is 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID159767039
Molecular FormulaC173H83F5O60
Molecular Weight3216.50 g/mol
Exact Mass3214.34
IUPAC Name5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESC=C1OC(=O)c2ccc(Oc3ccc(C(O)(O)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)cc21.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.CC(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)C(F)(F)F.O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=c1oc(=O)c2c(=O)c3c(=O)oc(=O)c3c(=O)c12.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12
InChIInChI=1S/C31H17F3O8.C31H20O8.C30H18O9.C29H14F2O8.C16H6O7.C16H6O6.C10O8.C10H2O6/c1-30(31(32,33)34,16-2-6-18(7-3-16)39-20-10-12-22-24(14-20)28(37)41-26(22)35)17-4-8-19(9-5-17)40-21-11-13-23-25(15-21)29(38)42-27(23)36;1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;1-16-25-14-21(10-12-23(25)27(31)36-16)37-19-6-2-17(3-7-19)30(34,35)18-4-8-20(9-5-18)38-22-11-13-24-26(15-22)29(33)39-28(24)32;30-29(31,15-1-5-17(6-2-15)36-19-9-11-21-23(13-19)27(34)38-25(21)32)16-3-7-18(8-4-16)37-20-10-12-22-24(14-20)28(35)39-26(22)33;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18;11-5-1-2(8(14)17-7(1)13)6(12)4-3(5)9(15)18-10(4)16;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h2-15H,1H3;3-16H,1-2H3;2-15,34-35H,1H2;1-14H;1-6H;1-6H;;1-2H
InChIKeyNFQDJQIXJDGDPY-UHFFFAOYSA-N
XLogP25.14
TPSA850.16 Ų
H-Bond Donors2
H-Bond Acceptors60
Rotatable Bonds27
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003216.50
LogP ≤ 525.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 159767039) is 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is C=C1OC(=O)c2ccc(Oc3ccc(C(O)(O)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)cc21.CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1.CC(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)C(F)(F)F.O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21.O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.O=c1oc(=O)c2c(=O)c3c(=O)oc(=O)c3c(=O)c12.O=c1oc(=O)c2cc3c(=O)oc(=O)c3cc12.
What is the InChIKey of 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is NFQDJQIXJDGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17F3O8.C31H20O8.C30H18O9.C29H14F2O8.C16H6O7.C16H6O6.C10O8.C10H2O6/c1-30(31(32,33)34,16-2-6-18(7-3-16)39-20-10-12-22-24(14-20)28(37)41-26(22)35)17-4-8-19(9-5-17)40-21-11-13-23-25(15-21)29(38)42-27(23)36;1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33;1-16-25-14-21(10-12-23(25)27(31)36-16)37-19-6-2-17(3-7-19)30(34,35)18-4-8-20(9-5-18)38-22-11-13-24-26(15-22)29(33)39-28(24)32;30-29(31,15-1-5-17(6-2-15)36-19-9-11-21-23(13-19)27(34)38-25(21)32)16-3-7-18(8-4-16)37-20-10-12-22-24(14-20)28(35)39-26(22)33;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;17-13-9-3-1-7(5-11(9)15(19)21-13)8-2-4-10-12(6-8)16(20)22-14(10)18;11-5-1-2(8(14)17-7(1)13)6(12)4-3(5)9(15)18-10(4)16;11-7-3-1-4-6(10(14)16-8(4)12)2-5(3)9(13)15-7/h2-15H,1H3;3-16H,1-2H3;2-15,34-35H,1H2;1-14H;1-6H;1-6H;;1-2H.
What are the key properties of 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 3216.50 g/mol, XLogP of 25.14, 27 rotatable bonds, 2 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[dihydroxy-[4-[(3-methylidene-1-oxo-2-benzofuran-5-yl)oxy]phenyl]methyl]phenoxy]-2-benzofuran-1,3-dione;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;5-[4-[[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-difluoromethyl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione;5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2-benzofuran-1,3-dione;furo[3,4-f][2]benzofuran-1,3,4,5,7,8-hexone;furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 159767039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).